6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine

C13H20ClN3 — CID 80953921

IUPAC6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine
SMILESCCCC(C)N(C)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H20ClN3/c1-4-5-9(2)17(3)12-8-11(14)15-13(16-12)10-6-7-10/h8-10H,4-7H2,1-3H3
InChIKeyIJOOQYYHMZXMOC-UHFFFAOYSA-N
MW253.78 g/mol
LogP3.63
Rot. Bonds5

About 6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine (PubChem CID 80953921) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine
PubChem CID80953921
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine
SMILESCCCC(C)N(C)c1cc(Cl)nc(C2CC2)n1
InChIInChI=1S/C13H20ClN3/c1-4-5-9(2)17(3)12-8-11(14)15-13(16-12)10-6-7-10/h8-10H,4-7H2,1-3H3
InChIKeyIJOOQYYHMZXMOC-UHFFFAOYSA-N
XLogP3.63
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-cyclopropyl-N-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 133416328
6-chloro-2-cyclopropyl-N-(3,3-dimethylbutan-2-yl)-N-methylpyrimidin-4-amine
CID 80953241
6-chloro-2-cyclopropyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)pyrimidin-4-amine
CID 80951010
N-butan-2-yl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80953404
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]propan-2-ol
CID 80951707
N-butan-2-yl-N-butyl-6-chloro-2-cyclopropylpyrimidin-4-amine
CID 80953088
2-tert-butyl-6-chloro-N-methyl-N-pentan-2-ylpyrimidin-4-amine
CID 80953844
6-chloro-2-cyclopropyl-N-(cyclopropylmethyl)-N-methylpyrimidin-4-amine
CID 80953708
N-butyl-6-chloro-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80948383
6-chloro-N-methyl-N-pentan-2-ylpyridin-2-amine
CID 63588405
4-N-butan-2-yl-2-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80967225
1-[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]-2-methylpropan-2-ol
CID 80951237

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine (CID 80953921) is 6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine is CCCC(C)N(C)c1cc(Cl)nc(C2CC2)n1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine?
The InChIKey is IJOOQYYHMZXMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3/c1-4-5-9(2)17(3)12-8-11(14)15-13(16-12)10-6-7-10/h8-10H,4-7H2,1-3H3.
What are the key properties of 6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-methyl-N-pentan-2-ylpyrimidin-4-amine has a molecular weight of 253.78 g/mol, XLogP of 3.63, 5 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-methyl-N-pentan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80953921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).