3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

C11H17ClN4O3 — CID 91318672

IUPAC3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCc1c(Cl)nc(N)nc1NC1CC(CO)C(O)C1O
InChIInChI=1S/C11H17ClN4O3/c1-4-9(12)15-11(13)16-10(4)14-6-2-5(3-17)7(18)8(6)19/h5-8,17-19H,2-3H2,1H3,(H3,13,14,15,16)
InChIKeyRRLDCQIENCYEFI-UHFFFAOYSA-N
MW288.74 g/mol
LogP-0.46
Rot. Bonds3

About 3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol

3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 91318672) has the molecular formula C11H17ClN4O3 and a molecular weight of 288.74 g/mol. Its IUPAC name is 3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID91318672
Molecular FormulaC11H17ClN4O3
Molecular Weight288.74 g/mol
Exact Mass288.10
IUPAC Name3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESCc1c(Cl)nc(N)nc1NC1CC(CO)C(O)C1O
InChIInChI=1S/C11H17ClN4O3/c1-4-9(12)15-11(13)16-10(4)14-6-2-5(3-17)7(18)8(6)19/h5-8,17-19H,2-3H2,1H3,(H3,13,14,15,16)
InChIKeyRRLDCQIENCYEFI-UHFFFAOYSA-N
XLogP-0.46
TPSA124.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 5-0.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

(1R,2S,3R,5R)-3-[[2-amino-6-chloro-5-[2-(2H-imidazol-2-yl)ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 57390639
[(1R,2R,3S,4R)-4-[(6-amino-2-methylpyrimidin-4-yl)amino]-2,3-dihydroxycyclopentyl]methyl sulfamate
CID 59671245
(1R,2S,3R,5R)-3-[[6-chloro-5-iodo-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 58570318
(1R,2S,3R,5R)-3-[[6-chloro-5-ethynyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 58570365
(1R,2S,3R,5R)-3-[[6-chloro-5-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 88566242
(1R,2S,3R,5R)-3-[[6-chloro-2-(2-methoxyethylamino)-5-[2-[2-methyl-6-(2,2,2-trifluoroethoxy)-3,4-dihydropyridin-3-yl]ethynyl]pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 89100687
(1R,2S,3R,5R)-3-[[6-chloro-5-[2-[2-methyl-6-(2,2,2-trifluoroethoxy)-3,4-dihydropyridin-3-yl]ethynyl]-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 89100699
(1S,2R,4R)-4-[[6-chloro-5-iodo-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 89101054
(1R,2R,4S)-2-[[6-chloro-5-ethynyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-4-(hydroxymethyl)cyclopentan-1-ol
CID 89101055
(1R,2S,3R,5R)-3-[[6-chloro-2-(2,2,2-trifluoroethylamino)-5-(2-trimethylsilylethynyl)pyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 89812030
4-[[6-Chloro-5-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 90724059
3-[[6-Chloro-5-ethynyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-5-(methoxymethyl)cyclopentane-1,2-diol
CID 91148919

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of 3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 91318672) is 3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for 3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for 3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is Cc1c(Cl)nc(N)nc1NC1CC(CO)C(O)C1O.
What is the InChIKey of 3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is RRLDCQIENCYEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O3/c1-4-9(12)15-11(13)16-10(4)14-6-2-5(3-17)7(18)8(6)19/h5-8,17-19H,2-3H2,1H3,(H3,13,14,15,16).
What are the key properties of 3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol?
3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 288.74 g/mol, XLogP of -0.46, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-chloro-5-methylpyrimidin-4-yl)amino]-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 91318672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).