4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine

C16H12Cl2N4 — CID 171989075

IUPAC4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESClc1ccc(-c2ccnc(NCc3cccnc3)n2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N4/c17-12-3-4-13(14(18)8-12)15-5-7-20-16(22-15)21-10-11-2-1-6-19-9-11/h1-9H,10H2,(H,20,21,22)
InChIKeyWHWBBEWYMDUKQB-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.46
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine

4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine (PubChem CID 171989075) has the molecular formula C16H12Cl2N4 and a molecular weight of 331.21 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
PubChem CID171989075
Molecular FormulaC16H12Cl2N4
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESClc1ccc(-c2ccnc(NCc3cccnc3)n2)c(Cl)c1
InChIInChI=1S/C16H12Cl2N4/c17-12-3-4-13(14(18)8-12)15-5-7-20-16(22-15)21-10-11-2-1-6-19-9-11/h1-9H,10H2,(H,20,21,22)
InChIKeyWHWBBEWYMDUKQB-UHFFFAOYSA-N
XLogP4.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893652
4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 82676696
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893601
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde
CID 53406427
2-chloro-4-(2,4-dichlorophenyl)pyrimidine
CID 11086481
4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893591
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893647
6-chloro-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773543
N-(2,5-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171976
2,4-dichloro-N-[3-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 1254200
N-(2,4-dichlorophenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191437

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine (CID 171989075) is 4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine is Clc1ccc(-c2ccnc(NCc3cccnc3)n2)c(Cl)c1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is WHWBBEWYMDUKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4/c17-12-3-4-13(14(18)8-12)15-5-7-20-16(22-15)21-10-11-2-1-6-19-9-11/h1-9H,10H2,(H,20,21,22).
What are the key properties of 4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 331.21 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 171989075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).