4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine

C12H10Cl3N3 — CID 79441038

IUPAC4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nc(Cl)c(-c2cccc(Cl)c2)c(Cl)n1
InChIInChI=1S/C12H10Cl3N3/c1-18(2)12-16-10(14)9(11(15)17-12)7-4-3-5-8(13)6-7/h3-6H,1-2H3
InChIKeyCFJYRMMHKBIFKF-UHFFFAOYSA-N
MW302.59 g/mol
LogP4.17
Rot. Bonds2

About 4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine

4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 79441038) has the molecular formula C12H10Cl3N3 and a molecular weight of 302.59 g/mol. Its IUPAC name is 4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine
PubChem CID79441038
Molecular FormulaC12H10Cl3N3
Molecular Weight302.59 g/mol
Exact Mass300.99
IUPAC Name4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nc(Cl)c(-c2cccc(Cl)c2)c(Cl)n1
InChIInChI=1S/C12H10Cl3N3/c1-18(2)12-16-10(14)9(11(15)17-12)7-4-3-5-8(13)6-7/h3-6H,1-2H3
InChIKeyCFJYRMMHKBIFKF-UHFFFAOYSA-N
XLogP4.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.59
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine
CID 79441111
5-(4-bromophenyl)-4,6-dichloro-N,N-dimethylpyrimidin-2-amine
CID 79438613
4,6-dichloro-5-(3-chlorophenyl)-2-pyrrolidin-1-ylpyrimidine
CID 79441260
4,6-dichloro-5-(3-chlorophenyl)-2-(1-methoxycyclobutyl)pyrimidine
CID 116706634
5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine
CID 113433308
6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline
CID 90101624
6-(3-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80870325
4-(3-chlorophenyl)-1,2-oxazole-3,5-diamine
CID 130439181
4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
CID 50769449
4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 142769145
4-N-[(3-chlorophenyl)methyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64829885
2-(3-chlorophenyl)-5-(dimethylamino)-1,3-oxazole-4-carbonitrile
CID 18822681

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine (CID 79441038) is 4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine is CN(C)c1nc(Cl)c(-c2cccc(Cl)c2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is CFJYRMMHKBIFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3/c1-18(2)12-16-10(14)9(11(15)17-12)7-4-3-5-8(13)6-7/h3-6H,1-2H3.
What are the key properties of 4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine?
4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 302.59 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(3-chlorophenyl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 79441038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).