4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol

C10H15ClN4O2 — CID 14104444

IUPAC4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESNc1c(Cl)ncnc1NC1CC(O)C(CO)C1
InChIInChI=1S/C10H15ClN4O2/c11-9-8(12)10(14-4-13-9)15-6-1-5(3-16)7(17)2-6/h4-7,16-17H,1-3,12H2,(H,13,14,15)
InChIKeyQBPDMBWHRLVURN-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.26
Rot. Bonds3

About 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol

4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol (PubChem CID 14104444) has the molecular formula C10H15ClN4O2 and a molecular weight of 258.71 g/mol. Its IUPAC name is 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
PubChem CID14104444
Molecular FormulaC10H15ClN4O2
Molecular Weight258.71 g/mol
Exact Mass258.09
IUPAC Name4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
SMILESNc1c(Cl)ncnc1NC1CC(O)C(CO)C1
InChIInChI=1S/C10H15ClN4O2/c11-9-8(12)10(14-4-13-9)15-6-1-5(3-16)7(17)2-6/h4-7,16-17H,1-3,12H2,(H,13,14,15)
InChIKeyQBPDMBWHRLVURN-UHFFFAOYSA-N
XLogP0.26
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol
CID 144952554
6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine
CID 103965332
[(4R,6R)-4-[(5-amino-6-chloropyrimidin-4-yl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophen-6-yl]methanol
CID 101483160
(4R,5R,8S,9S,10S)-9-[(5-amino-6-chloropyrimidin-4-yl)amino]-8-(hydroxymethyl)-6-oxaspiro[4.5]decane-4,10-diol
CID 11850593
6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine
CID 55143310
methyl 3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 139295528
(1S,2S,4R)-2-(hydroxymethyl)-4-[(6-methylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 59671218
4-[(5-amino-6-chloropyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106182693
4-[[6-chloro-5-methyl-2-(2,2,2-trifluoroethylamino)pyrimidin-4-yl]amino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 90724059
(1S,2R,4R)-2-(hydroxymethyl)-4-[(2,5,6-trimethylpyrimidin-4-yl)amino]cyclopentan-1-ol
CID 66805016
5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64655109
6-N-cycloheptyl-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 19153951

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
The IUPAC name of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol (CID 14104444) is 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol.
What is the SMILES notation for 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
The canonical SMILES for 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol is Nc1c(Cl)ncnc1NC1CC(O)C(CO)C1.
What is the InChIKey of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
The InChIKey is QBPDMBWHRLVURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O2/c11-9-8(12)10(14-4-13-9)15-6-1-5(3-16)7(17)2-6/h4-7,16-17H,1-3,12H2,(H,13,14,15).
What are the key properties of 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol?
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol has a molecular weight of 258.71 g/mol, XLogP of 0.26, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 14104444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).