2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide

C15H20N4O2 — CID 145024715

IUPAC2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide
SMILESCNC(=O)CN1C(C)=NC(c2ccc(C)cc2N)=CC1O
InChIInChI=1S/C15H20N4O2/c1-9-4-5-11(12(16)6-9)13-7-15(21)19(10(2)18-13)8-14(20)17-3/h4-7,15,21H,8,16H2,1-3H3,(H,17,20)
InChIKeyODZDFDUCQVUPEQ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.72
Rot. Bonds3

About 2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide

2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide (PubChem CID 145024715) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide
PubChem CID145024715
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide
SMILESCNC(=O)CN1C(C)=NC(c2ccc(C)cc2N)=CC1O
InChIInChI=1S/C15H20N4O2/c1-9-4-5-11(12(16)6-9)13-7-15(21)19(10(2)18-13)8-14(20)17-3/h4-7,15,21H,8,16H2,1-3H3,(H,17,20)
InChIKeyODZDFDUCQVUPEQ-UHFFFAOYSA-N
XLogP0.72
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(2-amino-4-methylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-1-(3-methyl-3-nitrosoazetidin-1-yl)ethanone;methanol
CID 145024782
2-(2-amino-4-methylanilino)-N-methylacetamide
CID 43310500
2-[6-(2,4-dimethylphenyl)-4-methoxy-2-methyl-4H-pyrimidin-3-yl]-N-(5-methoxy-2-methylhexyl)acetamide
CID 130183205
3-[[2-(2-amino-4-methylanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 106914557
2-(2-amino-5-methylphenyl)sulfinyl-N-methylacetamide
CID 81183802
2-(2-amino-4-methylphenyl)sulfanylacetohydrazide
CID 63582750
2-(2-amino-N-ethyl-4-methylanilino)-N-ethylacetamide
CID 54987046
2-(2-amino-4-methylanilino)acetic acid
CID 62253680
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
N-(2-amino-4-methylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 28867092
2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
CID 94065470
2-[5-(2-amino-4-methylphenyl)thiophen-3-yl]acetic acid
CID 174705888

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide (CID 145024715) is 2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide is CNC(=O)CN1C(C)=NC(c2ccc(C)cc2N)=CC1O.
What is the InChIKey of 2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide?
The InChIKey is ODZDFDUCQVUPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-4-5-11(12(16)6-9)13-7-15(21)19(10(2)18-13)8-14(20)17-3/h4-7,15,21H,8,16H2,1-3H3,(H,17,20).
What are the key properties of 2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide?
2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide has a molecular weight of 288.35 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-amino-4-methylphenyl)-4-hydroxy-2-methyl-4H-pyrimidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 145024715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).