6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

C16H14Cl3N3 — CID 178202226

IUPAC6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NC(c2ccc(Cl)c(Cl)c2)CC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C16H14Cl3N3/c17-11-4-1-9(2-5-11)14-8-15(22-16(20)21-14)10-3-6-12(18)13(19)7-10/h1-7,14-15H,8H2,(H3,20,21,22)
InChIKeyGOLHDBRCIPWLQZ-UHFFFAOYSA-N
MW354.67 g/mol
LogP4.74
Rot. Bonds2

About 6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine

6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 178202226) has the molecular formula C16H14Cl3N3 and a molecular weight of 354.67 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID178202226
Molecular FormulaC16H14Cl3N3
Molecular Weight354.67 g/mol
Exact Mass353.03
IUPAC Name6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESNC1=NC(c2ccc(Cl)c(Cl)c2)CC(c2ccc(Cl)cc2)N1
InChIInChI=1S/C16H14Cl3N3/c17-11-4-1-9(2-5-11)14-8-15(22-16(20)21-14)10-3-6-12(18)13(19)7-10/h1-7,14-15H,8H2,(H3,20,21,22)
InChIKeyGOLHDBRCIPWLQZ-UHFFFAOYSA-N
XLogP4.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.67
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188532
6-(4-fluorophenyl)-4-phenyl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202152
5-(3-chloro-4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 81156599
6-(2,4-dimethoxyphenyl)-4-(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188490
6-(2,4-dimethoxyphenyl)-4-(4-fluorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178202150
(4S,5S)-5-(3-chloro-4-fluorophenyl)-4-methyl-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-amine
CID 71129625
4-(2-chlorophenyl)-6-thiophen-2-yl-1,4,5,6-tetrahydropyrimidin-2-amine
CID 178188492
(4R)-4-(3-chloro-4-fluorophenyl)-4,5-dihydro-1,3-oxazol-2-amine
CID 59323787
[2-(3,4-dichlorophenyl)cyclopentyl]methanamine
CID 81010012
5-(3,4-dichlorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 155345646
[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropyl]methanamine
CID 94556817
(6S)-6-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 2097974

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of 6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine (CID 178202226) is 6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for 6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is NC1=NC(c2ccc(Cl)c(Cl)c2)CC(c2ccc(Cl)cc2)N1.
What is the InChIKey of 6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is GOLHDBRCIPWLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3N3/c17-11-4-1-9(2-5-11)14-8-15(22-16(20)21-14)10-3-6-12(18)13(19)7-10/h1-7,14-15H,8H2,(H3,20,21,22).
What are the key properties of 6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine?
6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 354.67 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 178202226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).