2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone

C15H16N4O3 — CID 143258810

IUPAC2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone
SMILES[H]/N=C(\C(=O)c1ccc(C)c(OC)c1)c1cnc(OC)nc1N
InChIInChI=1S/C15H16N4O3/c1-8-4-5-9(6-11(8)21-2)13(20)12(16)10-7-18-15(22-3)19-14(10)17/h4-7,16H,1-3H3,(H2,17,18,19)/b16-12-
InChIKeyJUBIESGQADOCTL-VBKFSLOCSA-N
MW300.32 g/mol
LogP1.64
Rot. Bonds5

About 2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone

2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone (PubChem CID 143258810) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone
PubChem CID143258810
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone
SMILES[H]/N=C(\C(=O)c1ccc(C)c(OC)c1)c1cnc(OC)nc1N
InChIInChI=1S/C15H16N4O3/c1-8-4-5-9(6-11(8)21-2)13(20)12(16)10-7-18-15(22-3)19-14(10)17/h4-7,16H,1-3H3,(H2,17,18,19)/b16-12-
InChIKeyJUBIESGQADOCTL-VBKFSLOCSA-N
XLogP1.64
TPSA111.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxy-4-methylphenyl)ethanimine
CID 142083574
amino 3-methoxy-4-methylbenzoate
CID 175307316
2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane
CID 145019698
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
1-(4-ethanimidoyl-2-methoxyphenyl)ethanone
CID 142132476
N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide
CID 143910071
(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 43339717
N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 62099101
(5-bromothiophen-2-yl)-(3-methoxy-4-methylphenyl)methanone
CID 61103194
4-(5-aminopyrimidin-2-yl)oxy-3-methoxybenzamide
CID 61147721
[C-(3-methoxy-4-methylphenyl)-N-(3-methylpyridine-4-carboximidoyl)carbonimidoyl]oxidanium
CID 143910067
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone?
The IUPAC name of 2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone (CID 143258810) is 2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone?
The canonical SMILES for 2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone is [H]/N=C(\C(=O)c1ccc(C)c(OC)c1)c1cnc(OC)nc1N.
What is the InChIKey of 2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone?
The InChIKey is JUBIESGQADOCTL-VBKFSLOCSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-8-4-5-9(6-11(8)21-2)13(20)12(16)10-7-18-15(22-3)19-14(10)17/h4-7,16H,1-3H3,(H2,17,18,19)/b16-12-.
What are the key properties of 2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone?
2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone has a molecular weight of 300.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 143258810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).