[(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol

C18H23ClN4O2 — CID 88566327

IUPAC[(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCOc1ccc(-c2c(Cl)nc(N)nc2N[C@H]2CC[C@@H](CO)C2)c(C)c1
InChIInChI=1S/C18H23ClN4O2/c1-10-7-13(25-2)5-6-14(10)15-16(19)22-18(20)23-17(15)21-12-4-3-11(8-12)9-24/h5-7,11-12,24H,3-4,8-9H2,1-2H3,(H3,20,21,22,23)/t11-,12+/m1/s1
InChIKeyGQOXKBVHABEFST-NEPJUHHUSA-N
MW362.86 g/mol
LogP3.27
Rot. Bonds5

About [(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol

[(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol (PubChem CID 88566327) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is [(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
PubChem CID88566327
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name[(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
SMILESCOc1ccc(-c2c(Cl)nc(N)nc2N[C@H]2CC[C@@H](CO)C2)c(C)c1
InChIInChI=1S/C18H23ClN4O2/c1-10-7-13(25-2)5-6-14(10)15-16(19)22-18(20)23-17(15)21-12-4-3-11(8-12)9-24/h5-7,11-12,24H,3-4,8-9H2,1-2H3,(H3,20,21,22,23)/t11-,12+/m1/s1
InChIKeyGQOXKBVHABEFST-NEPJUHHUSA-N
XLogP3.27
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol with MolForge

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Related Compounds

[(1R)-3-[[2-amino-6-chloro-5-[2-(4-methoxyphenyl)ethynyl]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 143946879
[(1R,3S)-3-[[2-amino-6-chloro-5-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 88566342
[(1R,3S)-3-[[2-amino-5-(1,3-benzothiazol-2-yl)-6-chloropyrimidin-4-yl]amino]cyclopentyl]methanol
CID 89101069
[(1R,3S)-3-[[6-chloro-2-(methylamino)-5-(2-methyl-6-methylsulfanyl-3-pyridinyl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 88566321
[(1R,3S)-3-[[2-amino-6-chloro-5-[(2-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 88884061
2-[(1S,3R)-3-[[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]amino]cyclopentyl]ethanol
CID 57228343
[3-[[2-amino-6-chloro-5-[2-[2-methyl-6-(1,3-thiazol-2-yl)-3-pyridinyl]ethynyl]pyrimidin-4-yl]amino]cyclopentyl]methanol;methanol
CID 143946773
[(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol
CID 144952554
[(1R,3S)-3-[[2-amino-6-chloro-5-[2-(5-pyridin-3-ylthiophen-2-yl)ethynyl]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 88566254
[(1R,3S)-3-[[6-chloro-2-(cyclopropylmethylamino)-5-(5-ethylfuro[2,3-c]pyridin-2-yl)pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 88872348
[3-[[2-amino-6-methyl-5-[4-(methyliminomethyl)-5-prop-2-enyl-1,3-thiazol-2-yl]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 143945484
[(1R,3R,4R)-3-[[2-amino-6-chloro-5-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-yl]amino]-4-methylcyclopentyl]methanol
CID 89101078

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The IUPAC name of [(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol (CID 88566327) is [(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol is COc1ccc(-c2c(Cl)nc(N)nc2N[C@H]2CC[C@@H](CO)C2)c(C)c1.
What is the InChIKey of [(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
The InChIKey is GQOXKBVHABEFST-NEPJUHHUSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-10-7-13(25-2)5-6-14(10)15-16(19)22-18(20)23-17(15)21-12-4-3-11(8-12)9-24/h5-7,11-12,24H,3-4,8-9H2,1-2H3,(H3,20,21,22,23)/t11-,12+/m1/s1.
What are the key properties of [(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol?
[(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol has a molecular weight of 362.86 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[[2-amino-6-chloro-5-(4-methoxy-2-methylphenyl)pyrimidin-4-yl]amino]cyclopentyl]methanol is sourced from PubChem (CID 88566327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).