6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C16H21ClN4 — CID 80969977

IUPAC6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(CC)Cc2ccccn2)n1
InChIInChI=1S/C16H21ClN4/c1-4-8-14-19-15(17)12(3)16(20-14)21(5-2)11-13-9-6-7-10-18-13/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyZAQIOSUUOCQNJP-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.81
Rot. Bonds6

About 6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80969977) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID80969977
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(CC)Cc2ccccn2)n1
InChIInChI=1S/C16H21ClN4/c1-4-8-14-19-15(17)12(3)16(20-14)21(5-2)11-13-9-6-7-10-18-13/h6-7,9-10H,4-5,8,11H2,1-3H3
InChIKeyZAQIOSUUOCQNJP-UHFFFAOYSA-N
XLogP3.81
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.81
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-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971281
4-N-ethyl-2,5-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80851701
6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80979316
6-chloro-N-ethyl-N-(2-ethylbutyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80970845
6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80939812
N-ethyl-6-hydrazinyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80943671
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
N'-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102995620
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-ethylamino]acetamide
CID 103103666
2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 102809534
6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 80972553

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 80969977) is 6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is CCCc1nc(Cl)c(C)c(N(CC)Cc2ccccn2)n1.
What is the InChIKey of 6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is ZAQIOSUUOCQNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-4-8-14-19-15(17)12(3)16(20-14)21(5-2)11-13-9-6-7-10-18-13/h6-7,9-10H,4-5,8,11H2,1-3H3.
What are the key properties of 6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 304.82 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80969977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).