6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine

C10H14ClN3 — CID 62856781

IUPAC6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(CC1CCC1)c1cc(Cl)ncn1
InChIInChI=1S/C10H14ClN3/c1-14(6-8-3-2-4-8)10-5-9(11)12-7-13-10/h5,7-8H,2-4,6H2,1H3
InChIKeySJRCZXIWNXAJRL-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.37
Rot. Bonds3

About 6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine

6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine (PubChem CID 62856781) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine
PubChem CID62856781
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(CC1CCC1)c1cc(Cl)ncn1
InChIInChI=1S/C10H14ClN3/c1-14(6-8-3-2-4-8)10-5-9(11)12-7-13-10/h5,7-8H,2-4,6H2,1H3
InChIKeySJRCZXIWNXAJRL-UHFFFAOYSA-N
XLogP2.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]pyrimidin-4-amine
CID 97164469
4-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80825254
6-chloro-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97164330
6-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyrimidin-4-amine
CID 63860661
4-N-(2-aminopropyl)-6-N-(cyclobutylmethyl)-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 115265897
6-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71642006
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloro-N-methylpyrimidin-4-amine
CID 63686843
tert-butyl (3S)-3-[[(6-chloropyrimidin-4-yl)-methylamino]methyl]piperidine-1-carboxylate
CID 97167321
2-chloro-N-(cyclobutylmethyl)-N-methylpyridin-4-amine
CID 103756840
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80951273
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80546756
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767719

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine (CID 62856781) is 6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine is CN(CC1CCC1)c1cc(Cl)ncn1.
What is the InChIKey of 6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine?
The InChIKey is SJRCZXIWNXAJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-14(6-8-3-2-4-8)10-5-9(11)12-7-13-10/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine?
6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine has a molecular weight of 211.70 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62856781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).