4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine

C10H9ClN4 — CID 82676696

IUPAC4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESClc1ccnc(NCc2cccnc2)n1
InChIInChI=1S/C10H9ClN4/c11-9-3-5-13-10(15-9)14-7-8-2-1-4-12-6-8/h1-6H,7H2,(H,13,14,15)
InChIKeySAKPXXFGOCZGRC-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.14
Rot. Bonds3

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

4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine (PubChem CID 82676696) has the molecular formula C10H9ClN4 and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
PubChem CID82676696
Molecular FormulaC10H9ClN4
Molecular Weight220.66 g/mol
Exact Mass220.05
IUPAC Name4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESClc1ccnc(NCc2cccnc2)n1
InChIInChI=1S/C10H9ClN4/c11-9-3-5-13-10(15-9)14-7-8-2-1-4-12-6-8/h1-6H,7H2,(H,13,14,15)
InChIKeySAKPXXFGOCZGRC-UHFFFAOYSA-N
XLogP2.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
4-N-tert-butyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893591
2-(pyridin-3-ylmethylamino)pyrimidine-4-carbaldehyde
CID 53406427
4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 171989075
2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80944833
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893601
4-N-(2,5-dichlorophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893652
4-N-cyclohexyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112884771
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889977
4-N-(4-bromophenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893614
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
4-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893647

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine (CID 82676696) is 4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine is Clc1ccnc(NCc2cccnc2)n1.
What is the InChIKey of 4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is SAKPXXFGOCZGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4/c11-9-3-5-13-10(15-9)14-7-8-2-1-4-12-6-8/h1-6H,7H2,(H,13,14,15).
What are the key properties of 4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 220.66 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 82676696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).