6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C15H19ClN4 — CID 80971182

IUPAC6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(C)Cc2ccccn2)n1
InChIInChI=1S/C15H19ClN4/c1-4-7-13-18-14(16)11(2)15(19-13)20(3)10-12-8-5-6-9-17-12/h5-6,8-9H,4,7,10H2,1-3H3
InChIKeyVBSCCOAPCDOOOB-UHFFFAOYSA-N
MW290.80 g/mol
LogP3.42
Rot. Bonds5

About 6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80971182) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID80971182
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(C)Cc2ccccn2)n1
InChIInChI=1S/C15H19ClN4/c1-4-7-13-18-14(16)11(2)15(19-13)20(3)10-12-8-5-6-9-17-12/h5-6,8-9H,4,7,10H2,1-3H3
InChIKeyVBSCCOAPCDOOOB-UHFFFAOYSA-N
XLogP3.42
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971281
6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80969977
6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80979316
6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 80972553
6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80939812
2-ethyl-4-N,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80993245
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55229872
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)phthalazin-1-amine
CID 62141726
2-N,6-N-dimethyl-2-N,6-N-bis(pyridin-2-ylmethyl)pyrazine-2,6-diamine
CID 100671089
6-hydrazinyl-N,2,5-trimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80905729
6-chloro-2-ethyl-N,5-dimethyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 79555384

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 80971182) is 6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is CCCc1nc(Cl)c(C)c(N(C)Cc2ccccn2)n1.
What is the InChIKey of 6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is VBSCCOAPCDOOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-4-7-13-18-14(16)11(2)15(19-13)20(3)10-12-8-5-6-9-17-12/h5-6,8-9H,4,7,10H2,1-3H3.
What are the key properties of 6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 290.80 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80971182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).