6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C14H17ClN4 — CID 80939812

IUPAC6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(C)Cc2ccccn2)n1
InChIInChI=1S/C14H17ClN4/c1-3-6-13-17-12(15)9-14(18-13)19(2)10-11-7-4-5-8-16-11/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyNEWAQBQJQZCBJL-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.11
Rot. Bonds5

About 6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80939812) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID80939812
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)cc(N(C)Cc2ccccn2)n1
InChIInChI=1S/C14H17ClN4/c1-3-6-13-17-12(15)9-14(18-13)19(2)10-11-7-4-5-8-16-11/h4-5,7-9H,3,6,10H2,1-2H3
InChIKeyNEWAQBQJQZCBJL-UHFFFAOYSA-N
XLogP3.11
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.11
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
6-hydrazinyl-N-methyl-2-propyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80944141
N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80943671
2-N,6-N-dimethyl-2-N,6-N-bis(pyridin-2-ylmethyl)pyrazine-2,6-diamine
CID 100671089
6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80969977
6-chloro-N-methyl-2-methylsulfanyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 113221054
5-chloro-4-(ethylaminomethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 114925592
5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 61256200
6-chloro-N-(cyclobutylmethyl)-N-methyl-2-propylpyrimidin-4-amine
CID 80939229
6-chloro-N-ethyl-N-(2-methylphenyl)-2-propylpyrimidin-4-amine
CID 80940880
2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 133442644
6-chloro-4-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 118063119

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 80939812) is 6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is CCCc1nc(Cl)cc(N(C)Cc2ccccn2)n1.
What is the InChIKey of 6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is NEWAQBQJQZCBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-3-6-13-17-12(15)9-14(18-13)19(2)10-11-7-4-5-8-16-11/h4-5,7-9H,3,6,10H2,1-2H3.
What are the key properties of 6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 276.77 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80939812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).