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

C12H15N3O — CID 142650596

IUPACN-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine
SMILESCc1ccc(CONC2=NCC=CN2)cc1
InChIInChI=1S/C12H15N3O/c1-10-3-5-11(6-4-10)9-16-15-12-13-7-2-8-14-12/h2-7H,8-9H2,1H3,(H2,13,14,15)
InChIKeyFJQQVBWGPXDJNN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.49
Rot. Bonds3

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

N-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine (PubChem CID 142650596) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine
PubChem CID142650596
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine
SMILESCc1ccc(CONC2=NCC=CN2)cc1
InChIInChI=1S/C12H15N3O/c1-10-3-5-11(6-4-10)9-16-15-12-13-7-2-8-14-12/h2-7H,8-9H2,1H3,(H2,13,14,15)
InChIKeyFJQQVBWGPXDJNN-UHFFFAOYSA-N
XLogP1.49
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.49
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

2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine;hydrochloride
CID 44522564
Guanidine, 1-(benzyloxy)-2,3-diisopropyl-, hydrochloride
CID 13291
N-phenylmethoxy-4,5-dihydro-1H-imidazol-2-amine
CID 11735657
1-Phenylmethoxy-2,3-di(propan-2-yl)guanidine
CID 13292
N-[(2-fluorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine
CID 57217288
2-fluoro-2-[(4-methylphenyl)methoxy]-1H-pyrimidin-4-amine
CID 136492692
5-Fluoro-2-[(4-methylphenyl)methoxy]-1,2-dihydropyrimidin-4-amine
CID 136638505
5-Fluoro-2-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-6-amine
CID 146384750
1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine
CID 123763796
2-methyl-1-phenylmethoxy-2H-1,3,5-triazine-4,6-diamine
CID 44522565
N-Methoxy-N'-[[[(4-methylphenyl)methoxy]amino]carbonyl]methanimidamide
CID 135432357
N-[(methoxyimino)methyl]-N-[(4-methylbenzyl)oxy]urea
CID 135798528

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine?
The IUPAC name of N-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine (CID 142650596) is N-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine.
What is the SMILES notation for N-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine?
The canonical SMILES for N-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine is Cc1ccc(CONC2=NCC=CN2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine?
The InChIKey is FJQQVBWGPXDJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-10-3-5-11(6-4-10)9-16-15-12-13-7-2-8-14-12/h2-7H,8-9H2,1H3,(H2,13,14,15).
What are the key properties of N-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine?
N-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine has a molecular weight of 217.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methoxy]-1,4-dihydropyrimidin-2-amine is sourced from PubChem (CID 142650596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).