4-[2-[[(2R)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(1-cyclopropylpropan-2-ylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;methane

C89H123N15O5 — CID 158599304

About 4-[2-[[(2R)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(1-cyclopropylpropan-2-ylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;methane

4-[2-[[(2R)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(1-cyclopropylpropan-2-ylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;methane (PubChem CID 158599304) has the molecular formula C89H123N15O5 and a molecular weight of 1483.06 g/mol. Its IUPAC name is 4-[2-[[(2R)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(1-cyclopropylpropan-2-ylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;methane.

Molecular Properties

• Compound Name: 4-[2-[[(2R)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(1-cyclopropylpropan-2-ylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;methane
• PubChem CID: 158599304
• Molecular Formula: C89H123N15O5
• Molecular Weight: 1483.06 g/mol
• Exact Mass: 1481.98
• IUPAC Name: 4-[2-[[(2R)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(1-cyclopropylpropan-2-ylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;methane
• SMILES: C.CC(CC1CC1)Nc1ncc2c(-c3ccc(CN4CCCCC4)cc3)cn(C3CCC(O)CC3)c2n1.C[C@@H](CC1CC1)Nc1ncc2c(-c3ccc(CN4CCOCC4)cc3)cn(C3CCC(O)CC3)c2n1.C[C@H](CC1CC1)Nc1ncc2c(-c3ccc(CN4CCOCC4)cc3)cn(C3CCC(O)CC3)c2n1
• InChI: InChI=1S/C30H41N5O.2C29H39N5O2.CH4/c1-21(17-22-5-6-22)32-30-31-18-27-28(20-35(29(27)33-30)25-11-13-26(36)14-12-25)24-9-7-23(8-10-24)19-34-15-3-2-4-16-34;2*1-20(16-21-2-3-21)31-29-30-17-26-27(19-34(28(26)32-29)24-8-10-25(35)11-9-24)23-6-4-22(5-7-23)18-33-12-14-36-15-13-33;/h7-10,18,20-22,25-26,36H,2-6,11-17,19H2,1H3,(H,31,32,33);2*4-7,17,19-21,24-25,35H,2-3,8-16,18H2,1H3,(H,30,31,32);1H4/t;2*20-,24?,25?;/m.10./s1
• InChIKey: HVKXDTYIRLYVEJ-WHEKRVOBSA-N
• XLogP: 16.81
• TPSA: 217.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1483.06
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[(2R)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(1-cyclopropylpropan-2-ylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;methane?

The IUPAC name of 4-[2-[[(2R)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(1-cyclopropylpropan-2-ylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;methane (CID 158599304) is 4-[2-[[(2R)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(1-cyclopropylpropan-2-ylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;methane.

What is the SMILES notation for 4-[2-[[(2R)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(1-cyclopropylpropan-2-ylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;methane?

The canonical SMILES for 4-[2-[[(2R)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(1-cyclopropylpropan-2-ylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;methane is C.CC(CC1CC1)Nc1ncc2c(-c3ccc(CN4CCCCC4)cc3)cn(C3CCC(O)CC3)c2n1.C[C@@H](CC1CC1)Nc1ncc2c(-c3ccc(CN4CCOCC4)cc3)cn(C3CCC(O)CC3)c2n1.C[C@H](CC1CC1)Nc1ncc2c(-c3ccc(CN4CCOCC4)cc3)cn(C3CCC(O)CC3)c2n1.

What is the InChIKey of 4-[2-[[(2R)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(1-cyclopropylpropan-2-ylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;methane?

The InChIKey is HVKXDTYIRLYVEJ-WHEKRVOBSA-N. The full InChI is InChI=1S/C30H41N5O.2C29H39N5O2.CH4/c1-21(17-22-5-6-22)32-30-31-18-27-28(20-35(29(27)33-30)25-11-13-26(36)14-12-25)24-9-7-23(8-10-24)19-34-15-3-2-4-16-34;2*1-20(16-21-2-3-21)31-29-30-17-26-27(19-34(28(26)32-29)24-8-10-25(35)11-9-24)23-6-4-22(5-7-23)18-33-12-14-36-15-13-33;/h7-10,18,20-22,25-26,36H,2-6,11-17,19H2,1H3,(H,31,32,33);2*4-7,17,19-21,24-25,35H,2-3,8-16,18H2,1H3,(H,30,31,32);1H4/t;2*20-,24?,25?;/m.10./s1.

What are the key properties of 4-[2-[[(2R)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(1-cyclopropylpropan-2-ylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;methane?

4-[2-[[(2R)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(1-cyclopropylpropan-2-ylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;methane has a molecular weight of 1483.06 g/mol, XLogP of 16.81, 24 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[[(2R)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-[[(2S)-1-cyclopropylpropan-2-yl]amino]-5-[4-(morpholin-4-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;4-[2-(1-cyclopropylpropan-2-ylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol;methane is sourced from PubChem (CID 158599304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).