N-[(2-chlorophenyl)methyl]pyrimidin-4-amine

C11H10ClN3 — CID 61253357

IUPACN-[(2-chlorophenyl)methyl]pyrimidin-4-amine
SMILESClc1ccccc1CNc1ccncn1
InChIInChI=1S/C11H10ClN3/c12-10-4-2-1-3-9(10)7-14-11-5-6-13-8-15-11/h1-6,8H,7H2,(H,13,14,15)
InChIKeyVZTIDXVPVINWHC-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.74
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]pyrimidin-4-amine

N-[(2-chlorophenyl)methyl]pyrimidin-4-amine (PubChem CID 61253357) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]pyrimidin-4-amine
PubChem CID61253357
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC NameN-[(2-chlorophenyl)methyl]pyrimidin-4-amine
SMILESClc1ccccc1CNc1ccncn1
InChIInChI=1S/C11H10ClN3/c12-10-4-2-1-3-9(10)7-14-11-5-6-13-8-15-11/h1-6,8H,7H2,(H,13,14,15)
InChIKeyVZTIDXVPVINWHC-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(2-chlorophenyl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 80784844
N-[(4-chlorophenyl)methyl]pyrimidin-4-amine
CID 61252594
4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786750
N-(2-chlorophenyl)pyrimidin-4-amine
CID 174441360
2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891673
4-N-[(2-chlorophenyl)methyl]-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112859886
N-[(2-chlorophenyl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78981083
4-N-(3-chlorophenyl)-6-N-[(2-chlorophenyl)methyl]pyrimidine-4,6-diamine
CID 112859904
3-[(2-chlorophenyl)methylamino]-1H-pyridazin-6-one
CID 121205953
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638
6-N-[(2-chlorophenyl)methyl]-2-N-ethylpyridine-2,6-diamine
CID 80785211
4-N,6-N-bis[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 22538950

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of N-[(2-chlorophenyl)methyl]pyrimidin-4-amine (CID 61253357) is N-[(2-chlorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-[(2-chlorophenyl)methyl]pyrimidin-4-amine is Clc1ccccc1CNc1ccncn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is VZTIDXVPVINWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-10-4-2-1-3-9(10)7-14-11-5-6-13-8-15-11/h1-6,8H,7H2,(H,13,14,15).
What are the key properties of N-[(2-chlorophenyl)methyl]pyrimidin-4-amine?
N-[(2-chlorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 219.68 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 61253357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).