N-phenylmethoxy-1,4-dihydropyrimidin-5-amine

C11H13N3O — CID 57185226

IUPACN-phenylmethoxy-1,4-dihydropyrimidin-5-amine
SMILESC1=NCC(NOCc2ccccc2)=CN1
InChIInChI=1S/C11H13N3O/c1-2-4-10(5-3-1)8-15-14-11-6-12-9-13-7-11/h1-6,9,14H,7-8H2,(H,12,13)
InChIKeyJFHJJNDZTDOZIR-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.18
Rot. Bonds4

About N-phenylmethoxy-1,4-dihydropyrimidin-5-amine

N-phenylmethoxy-1,4-dihydropyrimidin-5-amine (PubChem CID 57185226) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-phenylmethoxy-1,4-dihydropyrimidin-5-amine.

Molecular Properties

Compound NameN-phenylmethoxy-1,4-dihydropyrimidin-5-amine
PubChem CID57185226
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-phenylmethoxy-1,4-dihydropyrimidin-5-amine
SMILESC1=NCC(NOCc2ccccc2)=CN1
InChIInChI=1S/C11H13N3O/c1-2-4-10(5-3-1)8-15-14-11-6-12-9-13-7-11/h1-6,9,14H,7-8H2,(H,12,13)
InChIKeyJFHJJNDZTDOZIR-UHFFFAOYSA-N
XLogP1.18
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.18
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-phenylmethoxy-N-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 44337115
1-phenylmethoxy-N-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 44337228
N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-phenylmethoxymethanimidamide
CID 10752606
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
N-[[2-(trifluoromethyl)phenyl]methoxy]-1,4-dihydropyrimidin-5-amine
CID 57234280
5-Amino-6-imino-1-phenylmethoxypyrimidine-4-carbonitrile
CID 10490284
N-(3-phenylprop-2-ynoxy)-1,4-dihydropyrimidin-5-amine
CID 53743443
N-[(2-chlorophenyl)methoxy]-1,4-dihydropyrimidin-5-amine
CID 57100584
N-phenylmethoxy-1,2,3,6-tetrahydropyridin-4-amine
CID 57189109
N-phenylmethoxy-3,4-dihydropyridin-5-amine
CID 57241534

Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-1,4-dihydropyrimidin-5-amine?
The IUPAC name of N-phenylmethoxy-1,4-dihydropyrimidin-5-amine (CID 57185226) is N-phenylmethoxy-1,4-dihydropyrimidin-5-amine.
What is the SMILES notation for N-phenylmethoxy-1,4-dihydropyrimidin-5-amine?
The canonical SMILES for N-phenylmethoxy-1,4-dihydropyrimidin-5-amine is C1=NCC(NOCc2ccccc2)=CN1.
What is the InChIKey of N-phenylmethoxy-1,4-dihydropyrimidin-5-amine?
The InChIKey is JFHJJNDZTDOZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-2-4-10(5-3-1)8-15-14-11-6-12-9-13-7-11/h1-6,9,14H,7-8H2,(H,12,13).
What are the key properties of N-phenylmethoxy-1,4-dihydropyrimidin-5-amine?
N-phenylmethoxy-1,4-dihydropyrimidin-5-amine has a molecular weight of 203.25 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-1,4-dihydropyrimidin-5-amine is sourced from PubChem (CID 57185226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).