6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine

C16H19Cl2N3 — CID 80979316

IUPAC6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(C)Cc2ccccc2Cl)n1
InChIInChI=1S/C16H19Cl2N3/c1-4-7-14-19-15(18)11(2)16(20-14)21(3)10-12-8-5-6-9-13(12)17/h5-6,8-9H,4,7,10H2,1-3H3
InChIKeyNBQATXBBIZTCFG-UHFFFAOYSA-N
MW324.26 g/mol
LogP4.68
Rot. Bonds5

About 6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine

6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine (PubChem CID 80979316) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
PubChem CID80979316
Molecular FormulaC16H19Cl2N3
Molecular Weight324.26 g/mol
Exact Mass323.10
IUPAC Name6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
SMILESCCCc1nc(Cl)c(C)c(N(C)Cc2ccccc2Cl)n1
InChIInChI=1S/C16H19Cl2N3/c1-4-7-14-19-15(18)11(2)16(20-14)21(3)10-12-8-5-6-9-13(12)17/h5-6,8-9H,4,7,10H2,1-3H3
InChIKeyNBQATXBBIZTCFG-UHFFFAOYSA-N
XLogP4.68
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N,5-dimethyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971182
4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80777604
4-chloro-6-[(2-chlorophenyl)methoxy]-5-methyl-2-propylpyrimidine
CID 80973545
6-chloro-N,5-dimethyl-2-propyl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-4-amine
CID 80972553
6-chloro-N-ethyl-5-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80969977
6-chloro-2-ethyl-N,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80971281
4-N-benzyl-4-N,5-dimethyl-2-propylpyrimidine-4,6-diamine
CID 80977163
6-chloro-N,5-dimethyl-N-(2-methylsulfonylethyl)-2-propylpyrimidin-4-amine
CID 80977700
2-[(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-methylamino]-N-methylacetamide
CID 80970815
6-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80971305
6-[(2-chlorophenyl)methylsulfanyl]-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 103291510
N-[(2-chlorophenyl)methyl]-N,6-dimethylpyridin-2-amine
CID 133313300

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine (CID 80979316) is 6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine is CCCc1nc(Cl)c(C)c(N(C)Cc2ccccc2Cl)n1.
What is the InChIKey of 6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine?
The InChIKey is NBQATXBBIZTCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c1-4-7-14-19-15(18)11(2)16(20-14)21(3)10-12-8-5-6-9-13(12)17/h5-6,8-9H,4,7,10H2,1-3H3.
What are the key properties of 6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine?
6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine has a molecular weight of 324.26 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-chlorophenyl)methyl]-N,5-dimethyl-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80979316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).