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

C13H13Cl2N3 — CID 63727891

IUPAC6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCc2ccccc2Cl)n1
InChIInChI=1S/C13H13Cl2N3/c1-8-12(15)17-9(2)18-13(8)16-7-10-5-3-4-6-11(10)14/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyOPEWDYJWBCVRDQ-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.01
Rot. Bonds3

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

6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine (PubChem CID 63727891) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is 6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine
PubChem CID63727891
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC Name6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCc2ccccc2Cl)n1
InChIInChI=1S/C13H13Cl2N3/c1-8-12(15)17-9(2)18-13(8)16-7-10-5-3-4-6-11(10)14/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyOPEWDYJWBCVRDQ-UHFFFAOYSA-N
XLogP4.01
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-[(2-chlorophenyl)methylamino]-2-methylpyrimidine-5-carbaldehyde
CID 80731652
6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 63728239
4-N-[(2-chlorophenyl)methyl]-5-methyl-2-propylpyrimidine-4,6-diamine
CID 80981525
[3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197097
N-[(2-chlorophenyl)methyl]-5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 56564118
2-tert-butyl-6-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyrimidin-4-amine
CID 80979589
2-chloro-N-[(2-chlorophenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 82066631
2-[[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 106196538
4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-4-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80777604
N-[(2-chlorophenyl)methyl]-6-ethoxy-2-methylpyrimidin-4-amine
CID 66324628
6-chloro-N-(2-chloro-6-methylphenyl)-2,5-dimethylpyrimidin-4-amine
CID 66256721
6-chloro-N-(2,3-dichlorophenyl)-2,5-dimethylpyrimidin-4-amine
CID 55230629

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine (CID 63727891) is 6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine is Cc1nc(Cl)c(C)c(NCc2ccccc2Cl)n1.
What is the InChIKey of 6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine?
The InChIKey is OPEWDYJWBCVRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-8-12(15)17-9(2)18-13(8)16-7-10-5-3-4-6-11(10)14/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine has a molecular weight of 282.17 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-chlorophenyl)methyl]-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63727891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).