methyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate

C15H20N4O2 — CID 167848660

IUPACmethyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2c(N[C@@H]3C[C@H]3C(C)C)ncnc2n1C
InChIInChI=1S/C15H20N4O2/c1-8(2)9-5-11(9)18-13-10-6-12(15(20)21-4)19(3)14(10)17-7-16-13/h6-9,11H,5H2,1-4H3,(H,16,17,18)/t9-,11+/m0/s1
InChIKeyZCBQCJDGHQEILA-GXSJLCMTSA-N
MW288.35 g/mol
LogP2.21
Rot. Bonds4

About methyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate

methyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate (PubChem CID 167848660) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate
PubChem CID167848660
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Namemethyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2c(N[C@@H]3C[C@H]3C(C)C)ncnc2n1C
InChIInChI=1S/C15H20N4O2/c1-8(2)9-5-11(9)18-13-10-6-12(15(20)21-4)19(3)14(10)17-7-16-13/h6-9,11H,5H2,1-4H3,(H,16,17,18)/t9-,11+/m0/s1
InChIKeyZCBQCJDGHQEILA-GXSJLCMTSA-N
XLogP2.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate (CID 167848660) is methyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1cc2c(N[C@@H]3C[C@H]3C(C)C)ncnc2n1C.
What is the InChIKey of methyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is ZCBQCJDGHQEILA-GXSJLCMTSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-8(2)9-5-11(9)18-13-10-6-12(15(20)21-4)19(3)14(10)17-7-16-13/h6-9,11H,5H2,1-4H3,(H,16,17,18)/t9-,11+/m0/s1.
What are the key properties of methyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate?
methyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methyl-4-[[(1R,2S)-2-propan-2-ylcyclopropyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 167848660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).