6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine

C14H22ClN3 — CID 80953241

IUPAC6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine
SMILESCC(N(C)c1cc(Cl)nc(C2CC2)n1)C(C)(C)C
InChIInChI=1S/C14H22ClN3/c1-9(14(2,3)4)18(5)12-8-11(15)16-13(17-12)10-6-7-10/h8-10H,6-7H2,1-5H3
InChIKeyVCCJBDQULMTBBM-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.88
Rot. Bonds3

About 6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine (PubChem CID 80953241) has the molecular formula C14H22ClN3 and a molecular weight of 267.80 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine
PubChem CID80953241
Molecular FormulaC14H22ClN3
Molecular Weight267.80 g/mol
Exact Mass267.15
IUPAC Name6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine
SMILESCC(N(C)c1cc(Cl)nc(C2CC2)n1)C(C)(C)C
InChIInChI=1S/C14H22ClN3/c1-9(14(2,3)4)18(5)12-8-11(15)16-13(17-12)10-6-7-10/h8-10H,6-7H2,1-5H3
InChIKeyVCCJBDQULMTBBM-UHFFFAOYSA-N
XLogP3.88
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 80953921
6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 133416328
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80951707
6-chloro-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80545306
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80951237
N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80953404
6-chloro-2-cyclopropyl-N-(cyclopropylmethyl)-N-methylpyrimidin-4-amine
CID 80953708
6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80951010
2-chloro-6-[3,3-dimethylbutan-2-yl(methyl)amino]pyridine-4-carbonitrile
CID 83076492
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-ethylamino]-2-methylpropan-2-ol
CID 80951461
1-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclopentan-1-ol
CID 113344471
N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 80953088

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine (CID 80953241) is 6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine is CC(N(C)c1cc(Cl)nc(C2CC2)n1)C(C)(C)C.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine?
The InChIKey is VCCJBDQULMTBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3/c1-9(14(2,3)4)18(5)12-8-11(15)16-13(17-12)10-6-7-10/h8-10H,6-7H2,1-5H3.
What are the key properties of 6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine has a molecular weight of 267.80 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80953241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).