6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine

C11H8Cl3N3 — CID 121205983

IUPAC6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine
SMILESClc1ccc(CNc2cc(Cl)ncn2)c(Cl)c1
InChIInChI=1S/C11H8Cl3N3/c12-8-2-1-7(9(13)3-8)5-15-11-4-10(14)16-6-17-11/h1-4,6H,5H2,(H,15,16,17)
InChIKeyMVVMVSVQVWJERJ-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.05
Rot. Bonds3

About 6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine

6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine (PubChem CID 121205983) has the molecular formula C11H8Cl3N3 and a molecular weight of 288.56 g/mol. Its IUPAC name is 6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine
PubChem CID121205983
Molecular FormulaC11H8Cl3N3
Molecular Weight288.56 g/mol
Exact Mass286.98
IUPAC Name6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine
SMILESClc1ccc(CNc2cc(Cl)ncn2)c(Cl)c1
InChIInChI=1S/C11H8Cl3N3/c12-8-2-1-7(9(13)3-8)5-15-11-4-10(14)16-6-17-11/h1-4,6H,5H2,(H,15,16,17)
InChIKeyMVVMVSVQVWJERJ-UHFFFAOYSA-N
XLogP4.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.56
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 62533114
7-chloro-N-[(2,4-dichlorophenyl)methyl]quinazolin-4-amine
CID 1490538
4-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 78929904
4-chloro-3-[[(6-chloropyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 123977971
N-[2-(2,4-dichlorophenyl)ethyl]-6-methylpyrimidin-4-amine
CID 61224338
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
N-[2-(2,4-dichlorophenyl)ethyl]-6-methoxypyrimidin-4-amine
CID 66327625
4-N-(3-chlorophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859904
6-chloro-N-(1,2-oxazol-3-ylmethyl)pyrimidin-4-amine
CID 81178029
4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844
4-N-cyclopentyl-6-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112855896

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine (CID 121205983) is 6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine is Clc1ccc(CNc2cc(Cl)ncn2)c(Cl)c1.
What is the InChIKey of 6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is MVVMVSVQVWJERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3/c12-8-2-1-7(9(13)3-8)5-15-11-4-10(14)16-6-17-11/h1-4,6H,5H2,(H,15,16,17).
What are the key properties of 6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine?
6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 288.56 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 121205983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).