6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine

C13H20ClN3 — CID 80951273

IUPAC6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(N(C)CC2CCC2)n1
InChIInChI=1S/C13H20ClN3/c1-9(2)13-15-11(14)7-12(16-13)17(3)8-10-5-4-6-10/h7,9-10H,4-6,8H2,1-3H3
InChIKeyHGDHLUJYGUOAEO-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.49
Rot. Bonds4

About 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine

6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80951273) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80951273
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cl)cc(N(C)CC2CCC2)n1
InChIInChI=1S/C13H20ClN3/c1-9(2)13-15-11(14)7-12(16-13)17(3)8-10-5-4-6-10/h7,9-10H,4-6,8H2,1-3H3
InChIKeyHGDHLUJYGUOAEO-UHFFFAOYSA-N
XLogP3.49
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 80951430
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
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80939229
6-chloro-N-(cyclobutylmethyl)-N-methylpyrimidin-4-amine
CID 62856781
6-chloro-2-cyclopropyl-N-(cyclopropylmethyl)-N-methylpyrimidin-4-amine
CID 80953708
6-chloro-N-(cyclobutylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80953834
6-chloro-N,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 63235310
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)-methylamino]pentan-1-ol
CID 107201810
2-chloro-6-[cyclohexylmethyl(methyl)amino]pyridine-4-carboxylic acid
CID 61446979
6-chloro-4-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 133315062
2-chloro-N-(cyclobutylmethyl)-N-methyl-1,3-thiazol-4-amine
CID 130652422

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80951273) is 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cl)cc(N(C)CC2CCC2)n1.
What is the InChIKey of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is HGDHLUJYGUOAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-9(2)13-15-11(14)7-12(16-13)17(3)8-10-5-4-6-10/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of 6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.49, 4 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-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80951273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).