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

C14H17ClN4 — CID 80971281

IUPAC6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(C)Cc2ccccn2)n1
InChIInChI=1S/C14H17ClN4/c1-4-12-17-13(15)10(2)14(18-12)19(3)9-11-7-5-6-8-16-11/h5-8H,4,9H2,1-3H3
InChIKeyYRVXTSFKXUCGAD-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.03
Rot. Bonds4

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

6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80971281) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID80971281
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(N(C)Cc2ccccn2)n1
InChIInChI=1S/C14H17ClN4/c1-4-12-17-13(15)10(2)14(18-12)19(3)9-11-7-5-6-8-16-11/h5-8H,4,9H2,1-3H3
InChIKeyYRVXTSFKXUCGAD-UHFFFAOYSA-N
XLogP3.03
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971182
2-ethyl-4-N,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80993245
6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80969977
6-chloro-5-ethyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 55229872
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80971305
3-chloro-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 75515545
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-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80979316
3-(aminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 62672521
6-chloro-N-(2,2-dimethylpropyl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80971431

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 80971281) is 6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is CCc1nc(Cl)c(C)c(N(C)Cc2ccccn2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is YRVXTSFKXUCGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-4-12-17-13(15)10(2)14(18-12)19(3)9-11-7-5-6-8-16-11/h5-8H,4,9H2,1-3H3.
What are the key properties of 6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80971281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).