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

C11H10ClN3 — CID 61252594

IUPACN-[(4-chlorophenyl)methyl]pyrimidin-4-amine
SMILESClc1ccc(CNc2ccncn2)cc1
InChIInChI=1S/C11H10ClN3/c12-10-3-1-9(2-4-10)7-14-11-5-6-13-8-15-11/h1-6,8H,7H2,(H,13,14,15)
InChIKeyXYZILPXMYPEXHV-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.74
Rot. Bonds3

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

N-[(4-chlorophenyl)methyl]pyrimidin-4-amine (PubChem CID 61252594) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]pyrimidin-4-amine
PubChem CID61252594
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC NameN-[(4-chlorophenyl)methyl]pyrimidin-4-amine
SMILESClc1ccc(CNc2ccncn2)cc1
InChIInChI=1S/C11H10ClN3/c12-10-3-1-9(2-4-10)7-14-11-5-6-13-8-15-11/h1-6,8H,7H2,(H,13,14,15)
InChIKeyXYZILPXMYPEXHV-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

N-[(4-ethylphenyl)methyl]pyrimidin-4-amine
CID 106900112
1-[(4-chlorophenyl)methyl]-3-pyrimidin-4-ylthiourea
CID 45489553
4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide
CID 61253359
N-[(2-chlorophenyl)methyl]pyrimidin-4-amine
CID 61253357
N-[(4-chlorophenyl)methyl]-5-fluoropyridin-2-amine
CID 61313125
N-(1,3-benzodioxol-5-ylmethyl)pyrimidin-4-amine
CID 62907156
N-[(3-bromophenyl)methyl]pyrimidin-4-amine
CID 61401223
6-[(4-chlorophenyl)methoxy]-N-[(4-chlorophenyl)methyl]pyrimidin-4-amine
CID 134116375
4-N-[(4-chlorophenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 80766149
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 61253758
4-N-[(4-chlorophenyl)methyl]-2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885863

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]pyrimidin-4-amine (CID 61252594) is N-[(4-chlorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]pyrimidin-4-amine is Clc1ccc(CNc2ccncn2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is XYZILPXMYPEXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-10-3-1-9(2-4-10)7-14-11-5-6-13-8-15-11/h1-6,8H,7H2,(H,13,14,15).
What are the key properties of N-[(4-chlorophenyl)methyl]pyrimidin-4-amine?
N-[(4-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-[(4-chlorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 61252594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).