1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone

C20H21N3O2 — CID 122198601

IUPAC1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone
SMILESCC(=O)C1=C(C)NC(N)=NC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H21N3O2/c1-13-18(14(2)24)19(23-20(21)22-13)16-8-10-17(11-9-16)25-12-15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3,(H3,21,22,23)
InChIKeyOPCRXLPNCJFALI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.09
Rot. Bonds5

About 1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone

1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone (PubChem CID 122198601) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone
PubChem CID122198601
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone
SMILESCC(=O)C1=C(C)NC(N)=NC1c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H21N3O2/c1-13-18(14(2)24)19(23-20(21)22-13)16-8-10-17(11-9-16)25-12-15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3,(H3,21,22,23)
InChIKeyOPCRXLPNCJFALI-UHFFFAOYSA-N
XLogP3.09
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-(4-(benzyloxy)phenyl)pyrimidin-4(3H)-one
CID 136224231
Ethyl 4-[4-(benzyloxy)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3124336
2-(5-Acetyl-4-(4-(benzyloxy)phenyl)-6-methyl-1,4-dihydropyrimidin-2-ylthio)-N-phenyl acetamide (4d)
CID 122198607
(4S)-1-ethyl-6-methyl-2-(p-anisylamino)-4-phenyl-4H-pyrimidine-5-carboxylic acid methyl ester
CID 135693560
(4S)-1-benzyl-6-methyl-2-(p-anisylamino)-4-phenyl-4H-pyrimidine-5-carboxylic acid methyl ester
CID 135871448
Ethyl 4-(4-(benzyloxy)phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2872313
Methyl 6-[4-(benzyloxy)phenyl]-2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate
CID 3103111
2-(5-Acetyl-4-(4-(benzyloxy)phenyl)-6-methyl-1,4-dihydropyrimidin-2-ylamino)-N-phenyl acetamide (5d)
CID 122198615
5-acetyl-4-[4-(cyclopentyloxy)phenyl]-6-methyl-3,4-dihydro-2(1H)-pyrimidinone
CID 2960141
Benzyl 4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3090142
Benzyl 4-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3090691
CID 4969429
CID 4969429

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone (CID 122198601) is 1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone is CC(=O)C1=C(C)NC(N)=NC1c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone?
The InChIKey is OPCRXLPNCJFALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-18(14(2)24)19(23-20(21)22-13)16-8-10-17(11-9-16)25-12-15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3,(H3,21,22,23).
What are the key properties of 1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone?
1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone has a molecular weight of 335.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-6-methyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyrimidin-5-yl]ethanone is sourced from PubChem (CID 122198601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).