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

C10H15ClN4O — CID 106812142

IUPAC2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1ncnc(NCC2CCCC2O)c1Cl
InChIInChI=1S/C10H15ClN4O/c11-8-9(12)14-5-15-10(8)13-4-6-2-1-3-7(6)16/h5-7,16H,1-4H2,(H3,12,13,14,15)
InChIKeyZTOASEQNQSAUBX-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.29
Rot. Bonds3

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

2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 106812142) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
PubChem CID106812142
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
SMILESNc1ncnc(NCC2CCCC2O)c1Cl
InChIInChI=1S/C10H15ClN4O/c11-8-9(12)14-5-15-10(8)13-4-6-2-1-3-7(6)16/h5-7,16H,1-4H2,(H3,12,13,14,15)
InChIKeyZTOASEQNQSAUBX-UHFFFAOYSA-N
XLogP1.29
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol with MolForge

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Related Compounds

2-[[(6-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80841458
5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine
CID 106812243
2-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 64911092
2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80924426
5-chloro-4-N-[(2-ethyloxolan-3-yl)methyl]pyrimidine-4,6-diamine
CID 114106963
2-[[(6-amino-3,5-dichloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 102758635
2-[[(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 80915508
2-[[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 80925737
5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106811786
5-chloro-4-N-[[(2S)-5,5-dimethyloxolan-2-yl]methyl]pyrimidine-4,6-diamine
CID 129320709
2-[(2-amino-5-chloroanilino)methyl]cyclopentan-1-ol
CID 115469089
cis-(1R,2S)-2-[(thieno[2,3-d]pyrimidin-4-ylamino)methyl]cyclohexan-1-ol
CID 124506194

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol (CID 106812142) is 2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is Nc1ncnc(NCC2CCCC2O)c1Cl.
What is the InChIKey of 2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is ZTOASEQNQSAUBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-8-9(12)14-5-15-10(8)13-4-6-2-1-3-7(6)16/h5-7,16H,1-4H2,(H3,12,13,14,15).
What are the key properties of 2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol?
2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 242.71 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 106812142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).