6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine

C11H8Cl2FN3 — CID 62533114

IUPAC6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1ccc(CNc2cc(Cl)ncn2)cc1Cl
InChIInChI=1S/C11H8Cl2FN3/c12-8-3-7(1-2-9(8)14)5-15-11-4-10(13)16-6-17-11/h1-4,6H,5H2,(H,15,16,17)
InChIKeyTXTWRSPZWFSTQL-UHFFFAOYSA-N
MW272.11 g/mol
LogP3.53
Rot. Bonds3

About 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine

6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 62533114) has the molecular formula C11H8Cl2FN3 and a molecular weight of 272.11 g/mol. Its IUPAC name is 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
PubChem CID62533114
Molecular FormulaC11H8Cl2FN3
Molecular Weight272.11 g/mol
Exact Mass271.01
IUPAC Name6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1ccc(CNc2cc(Cl)ncn2)cc1Cl
InChIInChI=1S/C11H8Cl2FN3/c12-8-3-7(1-2-9(8)14)5-15-11-4-10(13)16-6-17-11/h1-4,6H,5H2,(H,15,16,17)
InChIKeyTXTWRSPZWFSTQL-UHFFFAOYSA-N
XLogP3.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 62537645
6-chloro-N-[(2,4-dichlorophenyl)methyl]pyrimidin-4-amine
CID 121205983
2-[(3-chloro-4-fluorophenyl)methylamino]pyridine-4-carbothioamide
CID 62538283
2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine
CID 62539567
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyrimidin-4-amine
CID 60726986
5-bromo-6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine
CID 114071730
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-2-propylpyrimidin-4-amine
CID 80939443
4-N-(3-chloro-4-fluorophenyl)-6-N-[(3,4-dimethoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112862613
4-[[(6-chloropyrimidin-4-yl)amino]methyl]benzoic acid
CID 153383994
6-chloro-N-[3-(4-chlorophenyl)propyl]pyrimidin-4-amine
CID 175661994
4-N-[(3,4-difluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80805369
N-[(3,4-difluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 54966097

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine (CID 62533114) is 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine is Fc1ccc(CNc2cc(Cl)ncn2)cc1Cl.
What is the InChIKey of 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is TXTWRSPZWFSTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3/c12-8-3-7(1-2-9(8)14)5-15-11-4-10(13)16-6-17-11/h1-4,6H,5H2,(H,15,16,17).
What are the key properties of 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine?
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 272.11 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 62533114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).