(2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

C18H26N4O2 — CID 97192366

IUPAC(2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESCc1cc(C)c2c(NC[C@H](O)COC3CCCCC3)ncnc2n1
InChIInChI=1S/C18H26N4O2/c1-12-8-13(2)22-18-16(12)17(20-11-21-18)19-9-14(23)10-24-15-6-4-3-5-7-15/h8,11,14-15,23H,3-7,9-10H2,1-2H3,(H,19,20,21,22)/t14-/m0/s1
InChIKeyUKEZMWWBGIEBKB-AWEZNQCLSA-N
MW330.43 g/mol
LogP2.76
Rot. Bonds6

About (2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol

(2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol (PubChem CID 97192366) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
PubChem CID97192366
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
SMILESCc1cc(C)c2c(NC[C@H](O)COC3CCCCC3)ncnc2n1
InChIInChI=1S/C18H26N4O2/c1-12-8-13(2)22-18-16(12)17(20-11-21-18)19-9-14(23)10-24-15-6-4-3-5-7-15/h8,11,14-15,23H,3-7,9-10H2,1-2H3,(H,19,20,21,22)/t14-/m0/s1
InChIKeyUKEZMWWBGIEBKB-AWEZNQCLSA-N
XLogP2.76
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 97205363
(2S)-1-(dimethylamino)-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 97187638
5,7-dimethyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97190031
5,7-dimethyl-N-[(2S)-2-piperidin-1-yl-2-pyridin-3-ylethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 97190501
5,7-dimethyl-N-[2-(1-methylsulfonylpiperidin-2-yl)ethyl]pyrido[2,3-d]pyrimidin-4-amine
CID 72840824
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
(3R)-1-[3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl]piperidin-3-ol
CID 97189429
1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol
CID 66251349
cyclopentyl-[4-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 72900199
1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644598
1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol
CID 107634536
1-cyclohexyloxy-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-2-ol
CID 103828788

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of (2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol (CID 97192366) is (2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for (2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for (2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol is Cc1cc(C)c2c(NC[C@H](O)COC3CCCCC3)ncnc2n1.
What is the InChIKey of (2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is UKEZMWWBGIEBKB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-12-8-13(2)22-18-16(12)17(20-11-21-18)19-9-14(23)10-24-15-6-4-3-5-7-15/h8,11,14-15,23H,3-7,9-10H2,1-2H3,(H,19,20,21,22)/t14-/m0/s1.
What are the key properties of (2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol?
(2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 330.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclohexyloxy-3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 97192366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).