1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine

C12H13N3O2 — CID 19085616

IUPAC1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine
SMILES[H]/N=c1\nc(OCc2ccccc2)cc(C)n1O
InChIInChI=1S/C12H13N3O2/c1-9-7-11(14-12(13)15(9)16)17-8-10-5-3-2-4-6-10/h2-7,13,16H,8H2,1H3/b13-12+
InChIKeyFANMCRZABYUGNZ-OUKQBFOZSA-N
MW231.26 g/mol
LogP1.49
Rot. Bonds3

About 1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine

1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine (PubChem CID 19085616) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine.

Molecular Properties

Compound Name1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine
PubChem CID19085616
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine
SMILES[H]/N=c1\nc(OCc2ccccc2)cc(C)n1O
InChIInChI=1S/C12H13N3O2/c1-9-7-11(14-12(13)15(9)16)17-8-10-5-3-2-4-6-10/h2-7,13,16H,8H2,1H3/b13-12+
InChIKeyFANMCRZABYUGNZ-OUKQBFOZSA-N
XLogP1.49
TPSA71.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-phenylmethoxypyridine-4-carboximidamide
CID 114769208
3-benzyl-2-methyl-6-phenylmethoxypyrimidin-4-one;ethane
CID 91343480
1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone
CID 170640785
4-chloro-6-phenylmethoxy-2-propylpyrimidine
CID 80939582
N-methyl-6-phenylmethoxy-2-propylpyrimidin-4-amine
CID 80950051
3-(2,6-dichlorophenyl)-2-methyl-6-phenylmethoxypyrimidin-4-one
CID 21090100
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
methyl 2-(2-methylphenyl)-6-phenylmethoxypyridine-4-carboxylate
CID 165437550
2-methyl-5-phenylmethoxypyrazine
CID 129054090
2-bromo-4-methoxy-6-phenylmethoxypyridine
CID 21471070
2-methyl-4,6-bis(phenylmethoxy)phenol
CID 11301646
N-methyl-6-phenylmethoxy-2-(trifluoromethyl)pyrimidin-4-amine
CID 106773682

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine?
The IUPAC name of 1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine (CID 19085616) is 1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine.
What is the SMILES notation for 1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine?
The canonical SMILES for 1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine is [H]/N=c1\nc(OCc2ccccc2)cc(C)n1O.
What is the InChIKey of 1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine?
The InChIKey is FANMCRZABYUGNZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9-7-11(14-12(13)15(9)16)17-8-10-5-3-2-4-6-10/h2-7,13,16H,8H2,1H3/b13-12+.
What are the key properties of 1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine?
1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine has a molecular weight of 231.26 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-methyl-4-phenylmethoxypyrimidin-2-imine is sourced from PubChem (CID 19085616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).