4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C16H13Cl2N5 — CID 112893652

IUPAC4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESClc1ccc(Cl)c(Nc2ccnc(NCc3cccnc3)n2)c1
InChIInChI=1S/C16H13Cl2N5/c17-12-3-4-13(18)14(8-12)22-15-5-7-20-16(23-15)21-10-11-2-1-6-19-9-11/h1-9H,10H2,(H2,20,21,22,23)
InChIKeyLFJCRRHJDOTALG-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.53
Rot. Bonds5

About 4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 112893652) has the molecular formula C16H13Cl2N5 and a molecular weight of 346.22 g/mol. Its IUPAC name is 4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID112893652
Molecular FormulaC16H13Cl2N5
Molecular Weight346.22 g/mol
Exact Mass345.05
IUPAC Name4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESClc1ccc(Cl)c(Nc2ccnc(NCc3cccnc3)n2)c1
InChIInChI=1S/C16H13Cl2N5/c17-12-3-4-13(18)14(8-12)22-15-5-7-20-16(23-15)21-10-11-2-1-6-19-9-11/h1-9H,10H2,(H2,20,21,22,23)
InChIKeyLFJCRRHJDOTALG-UHFFFAOYSA-N
XLogP4.53
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 171989075
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893647
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-(2,5-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80769305
2-[[2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112893660
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
2-N-tert-butyl-4-N-(2,5-dichlorophenyl)pyrimidine-2,4-diamine
CID 112899847
4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893591
4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112892059
4-N-(4-bromophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893614

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 112893652) is 4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is Clc1ccc(Cl)c(Nc2ccnc(NCc3cccnc3)n2)c1.
What is the InChIKey of 4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is LFJCRRHJDOTALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5/c17-12-3-4-13(18)14(8-12)22-15-5-7-20-16(23-15)21-10-11-2-1-6-19-9-11/h1-9H,10H2,(H2,20,21,22,23).
What are the key properties of 4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 346.22 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112893652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).