4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide

C17H22N4O3 — CID 137045988

IUPAC4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)CC(CN)OC)c2)n1
InChIInChI=1S/C17H22N4O3/c1-3-12-8-15(22)21-17(20-12)11-5-4-6-13(7-11)19-16(23)9-14(10-18)24-2/h4-8,14H,3,9-10,18H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyALRJAHKDCDPBBP-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.30
Rot. Bonds7

About 4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide

4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide (PubChem CID 137045988) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide
PubChem CID137045988
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)CC(CN)OC)c2)n1
InChIInChI=1S/C17H22N4O3/c1-3-12-8-15(22)21-17(20-12)11-5-4-6-13(7-11)19-16(23)9-14(10-18)24-2/h4-8,14H,3,9-10,18H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyALRJAHKDCDPBBP-UHFFFAOYSA-N
XLogP1.30
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 146083065
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 137028897
(2S)-2-amino-N-[2-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)anilino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 137050019
(2S)-2-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 137028911
4-amino-3-methoxy-N-[3-(propanoylamino)phenyl]butanamide
CID 103155505
1-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 137094564
2-[1-[2-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)anilino]-2-oxoethyl]cyclohexyl]acetic acid
CID 137160874
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-1-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 155946122
5-bromo-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-2-hydroxybenzamide
CID 136961162
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 137028921
3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 137028902
(E)-3-(4-acetamidophenyl)-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]prop-2-enamide
CID 137315075

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide (CID 137045988) is 4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide is CCc1cc(=O)[nH]c(-c2cccc(NC(=O)CC(CN)OC)c2)n1.
What is the InChIKey of 4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide?
The InChIKey is ALRJAHKDCDPBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-12-8-15(22)21-17(20-12)11-5-4-6-13(7-11)19-16(23)9-14(10-18)24-2/h4-8,14H,3,9-10,18H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide?
4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide has a molecular weight of 330.39 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3-methoxybutanamide is sourced from PubChem (CID 137045988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).