N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide

C16H20N4O2 — CID 136778835

IUPACN-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide
SMILESCCCCc1cc(=O)[nH]c(Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C16H20N4O2/c1-3-4-5-14-10-15(22)20-16(19-14)18-13-8-6-12(7-9-13)17-11(2)21/h6-10H,3-5H2,1-2H3,(H,17,21)(H2,18,19,20,22)
InChIKeySMWXHZHDDLKYMM-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.81
Rot. Bonds6

About N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide

N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide (PubChem CID 136778835) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide
PubChem CID136778835
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide
SMILESCCCCc1cc(=O)[nH]c(Nc2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C16H20N4O2/c1-3-4-5-14-10-15(22)20-16(19-14)18-13-8-6-12(7-9-13)17-11(2)21/h6-10H,3-5H2,1-2H3,(H,17,21)(H2,18,19,20,22)
InChIKeySMWXHZHDDLKYMM-UHFFFAOYSA-N
XLogP2.81
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-butyl-2-(4-hydroxyanilino)-1H-pyrimidin-6-one
CID 136780144
propyl 4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]benzoate
CID 136778726
2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135506181
butyl 3-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]benzoate
CID 136779121
propyl 4-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)amino]benzoate
CID 135749149
4-butyl-2-(2,4-dimethylanilino)-1H-pyrimidin-6-one
CID 136779086
2-(naphthalen-2-ylamino)-4-propyl-1H-pyrimidin-6-one
CID 135667332
N-[6-oxo-4-(4-phenylbutyl)-1H-pyrimidin-2-yl]acetamide
CID 135483277
4-butyl-2-(2,5-difluoroanilino)-1H-pyrimidin-6-one
CID 136779304
2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
CID 135443968
1-(6-oxo-4-tridecyl-1H-pyrimidin-2-yl)-3-[12-[(6-oxo-4-tridecyl-1H-pyrimidin-2-yl)carbamoylamino]dodecyl]urea
CID 136805485
1-(6-oxo-4-undecyl-1H-pyrimidin-2-yl)-3-[6-[(6-oxo-4-undecyl-1H-pyrimidin-2-yl)carbamoylamino]hexyl]urea
CID 136883553

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide (CID 136778835) is N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide is CCCCc1cc(=O)[nH]c(Nc2ccc(NC(C)=O)cc2)n1.
What is the InChIKey of N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide?
The InChIKey is SMWXHZHDDLKYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-4-5-14-10-15(22)20-16(19-14)18-13-8-6-12(7-9-13)17-11(2)21/h6-10H,3-5H2,1-2H3,(H,17,21)(H2,18,19,20,22).
What are the key properties of N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide?
N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide has a molecular weight of 300.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 136778835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).