N-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide

C20H24N4O2 — CID 70325097

IUPACN-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide
SMILESCC(=O)NC1=CCC(c2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)C=C1
InChIInChI=1S/C20H24N4O2/c1-13(25)22-17-9-7-14(8-10-17)15-5-4-6-16(11-15)20(2)12-18(26)24(3)19(21)23-20/h4-7,9-11,14H,8,12H2,1-3H3,(H2,21,23)(H,22,25)
InChIKeyKVZKGOHYLASEGU-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.14
Rot. Bonds3

About N-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide

N-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide (PubChem CID 70325097) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide
PubChem CID70325097
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide
SMILESCC(=O)NC1=CCC(c2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)C=C1
InChIInChI=1S/C20H24N4O2/c1-13(25)22-17-9-7-14(8-10-17)15-5-4-6-16(11-15)20(2)12-18(26)24(3)19(21)23-20/h4-7,9-11,14H,8,12H2,1-3H3,(H2,21,23)(H,22,25)
InChIKeyKVZKGOHYLASEGU-UHFFFAOYSA-N
XLogP2.14
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]phenyl]acetamide
CID 143213303
N-[3-[(4R)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]benzamide
CID 66644173
2-amino-6-[3-(3-chloro-6-methylcyclohexa-2,4-dien-1-yl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 70324728
2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 23731035
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-1-methylthiophene-1-carboxamide
CID 66646924
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-methylpyrazine-2-carboxamide
CID 75288554
3-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-N-(2-methylpropyl)benzamide
CID 59388025
N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]pyridine-2-carboxamide;formic acid
CID 157354109
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-2,5-dimethyl-1,3-oxazole-4-carboxamide
CID 70233635
N-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 91116624
2-amino-6-[3-(3-methoxyphenyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 11594966
(6S)-2-amino-3,6-dimethyl-6-[3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]-5H-pyrimidin-4-one
CID 59386916

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide?
The IUPAC name of N-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide (CID 70325097) is N-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide.
What is the SMILES notation for N-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide?
The canonical SMILES for N-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide is CC(=O)NC1=CCC(c2cccc(C3(C)CC(=O)N(C)C(N)=N3)c2)C=C1.
What is the InChIKey of N-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide?
The InChIKey is KVZKGOHYLASEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13(25)22-17-9-7-14(8-10-17)15-5-4-6-16(11-15)20(2)12-18(26)24(3)19(21)23-20/h4-7,9-11,14H,8,12H2,1-3H3,(H2,21,23)(H,22,25).
What are the key properties of N-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide?
N-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide has a molecular weight of 352.44 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)phenyl]cyclohexa-1,5-dien-1-yl]acetamide is sourced from PubChem (CID 70325097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).