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

C11H12ClN3O — CID 142650597

IUPACN-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine
SMILESClc1ccc(CONC2=NCC=CN2)cc1
InChIInChI=1S/C11H12ClN3O/c12-10-4-2-9(3-5-10)8-16-15-11-13-6-1-7-14-11/h1-6H,7-8H2,(H2,13,14,15)
InChIKeyDUWXULPLXUHRAM-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.83
Rot. Bonds3

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

N-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine (PubChem CID 142650597) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine
PubChem CID142650597
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC NameN-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine
SMILESClc1ccc(CONC2=NCC=CN2)cc1
InChIInChI=1S/C11H12ClN3O/c12-10-4-2-9(3-5-10)8-16-15-11-13-6-1-7-14-11/h1-6H,7-8H2,(H2,13,14,15)
InChIKeyDUWXULPLXUHRAM-UHFFFAOYSA-N
XLogP1.83
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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'}

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Related Compounds

1-[(3,4-dichlorophenyl)methoxy]-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 44522978
Biguanide, 1-(p-chlorobenzyloxy)-
CID 9570930
1-[(3,4-dichlorophenyl)methoxy]-2H-1,3,5-triazine-4,6-diamine
CID 44522979
2-[(4-Chlorophenyl)methoxy]-1-(diaminomethylidene)guanidine
CID 57461
N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine
CID 57100584
N-[(4-chlorophenyl)methoxy]-1,2,3,6-tetrahydropyridin-4-amine
CID 57208334
N-[(4-chlorophenyl)methoxy]ethenamine
CID 91065687
N-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine
CID 142650596
1-[(4-chlorophenyl)methoxy]-3-[(1E)-(dimethylamino)methylidene]urea
CID 3768056
1-[[(4-Chlorophenyl)methoxyamino]methylidene]-3-(dimethylaminomethylidene)thiourea
CID 3806773
N-[(4-chlorobenzyl)oxy]-N-[(dimethylamino)methylene]urea
CID 9635044
(1Z)-N-[(4-chlorophenyl)methoxy]-1-(3-methyl-2,4-dihydropyrimidin-5-ylidene)methanamine
CID 10316198

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine (CID 142650597) is N-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine is Clc1ccc(CONC2=NCC=CN2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine?
The InChIKey is DUWXULPLXUHRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-10-4-2-9(3-5-10)8-16-15-11-13-6-1-7-14-11/h1-6H,7-8H2,(H2,13,14,15).
What are the key properties of N-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine?
N-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine has a molecular weight of 237.69 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methoxy]-1,4-dihydropyrimidin-2-amine is sourced from PubChem (CID 142650597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).