6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine

C14H15ClN4 — CID 80953116

IUPAC6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(Cl)nc(C2CC2)n1)c1ccccn1
InChIInChI=1S/C14H15ClN4/c1-9(11-4-2-3-7-16-11)17-13-8-12(15)18-14(19-13)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,17,18,19)
InChIKeyXSKPJEOVSNWIEF-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.58
Rot. Bonds4

About 6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine (PubChem CID 80953116) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
PubChem CID80953116
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(Cl)nc(C2CC2)n1)c1ccccn1
InChIInChI=1S/C14H15ClN4/c1-9(11-4-2-3-7-16-11)17-13-8-12(15)18-14(19-13)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,17,18,19)
InChIKeyXSKPJEOVSNWIEF-UHFFFAOYSA-N
XLogP3.58
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-methylsulfanyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine
CID 112724557
6-chloro-2-cyclopropyl-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine
CID 107257730
6-chloro-2-cyclopropyl-N-(1-phenylpropyl)pyrimidin-4-amine
CID 80950968
2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781349
6-chloro-2-cyclopropyl-N-hexan-2-ylpyrimidin-4-amine
CID 80950895
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
6-chloro-2-cyclopropyl-N-[1-(4-methyl-3-nitrophenyl)ethyl]pyrimidin-4-amine
CID 133418717
6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80948779
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-phenylbutanenitrile
CID 133421854
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-nitro-6-N-[(1S)-1-pyridin-2-ylethyl]pyridine-2,6-diamine
CID 69150109
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43689899

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine (CID 80953116) is 6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine is CC(Nc1cc(Cl)nc(C2CC2)n1)c1ccccn1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine?
The InChIKey is XSKPJEOVSNWIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c1-9(11-4-2-3-7-16-11)17-13-8-12(15)18-14(19-13)10-5-6-10/h2-4,7-10H,5-6H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine has a molecular weight of 274.75 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(1-pyridin-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80953116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).