2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine

C10H15ClN4O — CID 7147197

IUPAC2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NC[C@@H]2CCCO2)c1N
InChIInChI=1S/C10H15ClN4O/c1-6-8(12)9(15-10(11)14-6)13-5-7-3-2-4-16-7/h7H,2-5,12H2,1H3,(H,13,14,15)/t7-/m0/s1
InChIKeyVVWOXODXZWFQSY-ZETCQYMHSA-N
MW242.71 g/mol
LogP1.61
Rot. Bonds3

About 2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine

2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine (PubChem CID 7147197) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine
PubChem CID7147197
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NC[C@@H]2CCCO2)c1N
InChIInChI=1S/C10H15ClN4O/c1-6-8(12)9(15-10(11)14-6)13-5-7-3-2-4-16-7/h7H,2-5,12H2,1H3,(H,13,14,15)/t7-/m0/s1
InChIKeyVVWOXODXZWFQSY-ZETCQYMHSA-N
XLogP1.61
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-methyl-5-nitro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 7147270
2-chloro-6-methyl-5-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyrimidin-4-amine
CID 7147271
6-chloro-2-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82459193
3,6-dichloro-N-(oxolan-2-ylmethyl)-1,2,4-triazin-5-amine
CID 81037138
2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
CID 114044015
3-[[(5-amino-2-chloro-6-methylpyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 114146012
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
6-chloro-2-cyclopropyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80970322
6-methoxy-2-(oxolan-2-yl)-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82457877
3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 62476856
6-chloro-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 63729583
2-tert-butyl-6-ethoxy-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5-diamine
CID 82458758

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine (CID 7147197) is 2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine is Cc1nc(Cl)nc(NC[C@@H]2CCCO2)c1N.
What is the InChIKey of 2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine?
The InChIKey is VVWOXODXZWFQSY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-6-8(12)9(15-10(11)14-6)13-5-7-3-2-4-16-7/h7H,2-5,12H2,1H3,(H,13,14,15)/t7-/m0/s1.
What are the key properties of 2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine?
2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine has a molecular weight of 242.71 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 7147197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).