[(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol

C15H29ClN4O3 — CID 144952554

IUPAC[(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol
SMILESCC.CC(C)(O)O.Nc1c(Cl)ncnc1NC1CC[C@@H](CO)C1
InChIInChI=1S/C10H15ClN4O.C3H8O2.C2H6/c11-9-8(12)10(14-5-13-9)15-7-2-1-6(3-7)4-16;1-3(2,4)5;1-2/h5-7,16H,1-4,12H2,(H,13,14,15);4-5H,1-2H3;1-2H3/t6-,7?;;/m1../s1
InChIKeyBTJLLKSMVBQKDS-DKPBNVODSA-N
MW348.88 g/mol
LogP2.02
Rot. Bonds3

About [(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol

[(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol (PubChem CID 144952554) has the molecular formula C15H29ClN4O3 and a molecular weight of 348.88 g/mol. Its IUPAC name is [(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol.

Molecular Properties

Compound Name[(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol
PubChem CID144952554
Molecular FormulaC15H29ClN4O3
Molecular Weight348.88 g/mol
Exact Mass348.19
IUPAC Name[(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol
SMILESCC.CC(C)(O)O.Nc1c(Cl)ncnc1NC1CC[C@@H](CO)C1
InChIInChI=1S/C10H15ClN4O.C3H8O2.C2H6/c11-9-8(12)10(14-5-13-9)15-7-2-1-6(3-7)4-16;1-3(2,4)5;1-2/h5-7,16H,1-4,12H2,(H,13,14,15);4-5H,1-2H3;1-2H3/t6-,7?;;/m1../s1
InChIKeyBTJLLKSMVBQKDS-DKPBNVODSA-N
XLogP2.02
TPSA124.52 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 52.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol with MolForge

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Related Compounds

6-chloro-4-N-(4-propylcyclohexyl)pyrimidine-4,5-diamine
CID 55143310
4-[(5-amino-6-chloropyrimidin-4-yl)amino]-2-(hydroxymethyl)cyclopentan-1-ol
CID 14104444
methyl 3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxylate
CID 139295528
6-chloro-4-N-(3,3,5,5-tetramethylcyclohexyl)pyrimidine-4,5-diamine
CID 103965332
[3-[[2-amino-6-chloro-5-[2-(2-chlorophenyl)ethynyl]pyrimidin-4-yl]amino]cyclopentyl]methanol
CID 143946912
[(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
6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine
CID 63728973
5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64655109
tert-butyl (1R,4S)-2-[(5-amino-6-chloropyrimidin-4-yl)amino]-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 71593672
[(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

Frequently Asked Questions

What is the IUPAC name of [(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol?
The IUPAC name of [(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol (CID 144952554) is [(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol.
What is the SMILES notation for [(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol?
The canonical SMILES for [(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol is CC.CC(C)(O)O.Nc1c(Cl)ncnc1NC1CC[C@@H](CO)C1.
What is the InChIKey of [(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol?
The InChIKey is BTJLLKSMVBQKDS-DKPBNVODSA-N. The full InChI is InChI=1S/C10H15ClN4O.C3H8O2.C2H6/c11-9-8(12)10(14-5-13-9)15-7-2-1-6(3-7)4-16;1-3(2,4)5;1-2/h5-7,16H,1-4,12H2,(H,13,14,15);4-5H,1-2H3;1-2H3/t6-,7?;;/m1../s1.
What are the key properties of [(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol?
[(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol has a molecular weight of 348.88 g/mol, XLogP of 2.02, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-[(5-amino-6-chloropyrimidin-4-yl)amino]cyclopentyl]methanol;ethane;propane-2,2-diol is sourced from PubChem (CID 144952554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).