N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine

C11H12ClN3O — CID 57100584

IUPACN-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine
SMILESClc1ccccc1CONC1=CNC=NC1
InChIInChI=1S/C11H12ClN3O/c12-11-4-2-1-3-9(11)7-16-15-10-5-13-8-14-6-10/h1-5,8,15H,6-7H2,(H,13,14)
InChIKeyGNMVVMNXYDKRSY-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.83
Rot. Bonds4

About N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine

N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine (PubChem CID 57100584) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine
PubChem CID57100584
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC NameN-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine
SMILESClc1ccccc1CONC1=CNC=NC1
InChIInChI=1S/C11H12ClN3O/c12-11-4-2-1-3-9(11)7-16-15-10-5-13-8-14-6-10/h1-5,8,15H,6-7H2,(H,13,14)
InChIKeyGNMVVMNXYDKRSY-UHFFFAOYSA-N
XLogP1.83
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine
CID 57217288
(E)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 19370477
N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine
CID 23469012
N-phenylmethoxy-1,4-dihydropyrimidin-5-amine
CID 57185226
N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine
CID 57208334
N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 73605611
N-[(2,6-dichlorophenyl)methoxy]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 88771912
1-[(2-chlorophenyl)methoxy]-2H-pyridine-2,5,6-triamine
CID 126648825
N-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine
CID 142650597
(Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
CID 19370478
(Z)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine;hydrochloride
CID 23638739
(E)-N-[(2-chlorophenyl)methoxy]-4,6-dihydro-1H-pyrimidin-5-imine
CID 23638740

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine?
The IUPAC name of N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine (CID 57100584) is N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine.
What is the SMILES notation for N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine?
The canonical SMILES for N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine is Clc1ccccc1CONC1=CNC=NC1.
What is the InChIKey of N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine?
The InChIKey is GNMVVMNXYDKRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-11-4-2-1-3-9(11)7-16-15-10-5-13-8-14-6-10/h1-5,8,15H,6-7H2,(H,13,14).
What are the key properties of N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine?
N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine has a molecular weight of 237.69 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine is sourced from PubChem (CID 57100584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).