6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine

C11H8Cl3N3 — CID 63735089

IUPAC6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8Cl3N3/c1-6-10(14)15-5-16-11(6)17-9-3-7(12)2-8(13)4-9/h2-5H,1H3,(H,15,16,17)
InChIKeyZFUKRVZQIQUCJB-UHFFFAOYSA-N
MW288.56 g/mol
LogP4.49
Rot. Bonds2

About 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine

6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine (PubChem CID 63735089) has the molecular formula C11H8Cl3N3 and a molecular weight of 288.56 g/mol. Its IUPAC name is 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine
PubChem CID63735089
Molecular FormulaC11H8Cl3N3
Molecular Weight288.56 g/mol
Exact Mass286.98
IUPAC Name6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H8Cl3N3/c1-6-10(14)15-5-16-11(6)17-9-3-7(12)2-8(13)4-9/h2-5H,1H3,(H,15,16,17)
InChIKeyZFUKRVZQIQUCJB-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N4-(3,5-dichlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 2730123
N4-(3-chlorophenyl)-6-methyl-N2-(phenylmethyl)pyrimidine-2,4-diamine
CID 697235
6-Chloro-N4-(p-tolyl)pyrimidine-4,5-diamine
CID 258602
4-N-(3-chloro-4-fluorophenyl)-5-[(E)-methoxyiminomethyl]pyrimidine-4,6-diamine
CID 17747104
4-N-(3-chlorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 67304928
N4-(4-chlorophenyl)-6-methylpyrimidine-2,4-diamine
CID 2766291
5-Chloro-N4-Phenylpyrimidine-2,4-Diamine
CID 80769364
N4-(3,5-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 2959050
2,5-dimethyl-4-N,4-N-dipropyl-6-N-(2,4,6-trichlorophenyl)pyrimidine-4,6-diamine
CID 10787254
2-N,4-N-bis(3,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 44527001
6-N-(4-chlorophenyl)-4-N-(6-chloro-2-pyridinyl)pyrimidine-4,6-diamine
CID 145990507
N-(6-chloro-4-pyrimidinyl)-N-[4-(dimethylamino)phenyl]amine
CID 1201004

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine (CID 63735089) is 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine?
The InChIKey is ZFUKRVZQIQUCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3/c1-6-10(14)15-5-16-11(6)17-9-3-7(12)2-8(13)4-9/h2-5H,1H3,(H,15,16,17).
What are the key properties of 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine?
6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine has a molecular weight of 288.56 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-dichlorophenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 63735089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).