N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C16H19N5O3 — CID 110862549

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3c[nH]c(=O)[nH]c3=O)cc2)CC1
InChIInChI=1S/C16H19N5O3/c1-20-6-8-21(9-7-20)12-4-2-11(3-5-12)18-14(22)13-10-17-16(24)19-15(13)23/h2-5,10H,6-9H2,1H3,(H,18,22)(H2,17,19,23,24)
InChIKeyRGVUXJVQAOMTOI-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.07
Rot. Bonds3

About N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 110862549) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID110862549
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3c[nH]c(=O)[nH]c3=O)cc2)CC1
InChIInChI=1S/C16H19N5O3/c1-20-6-8-21(9-7-20)12-4-2-11(3-5-12)18-14(22)13-10-17-16(24)19-15(13)23/h2-5,10H,6-9H2,1H3,(H,18,22)(H2,17,19,23,24)
InChIKeyRGVUXJVQAOMTOI-UHFFFAOYSA-N
XLogP0.07
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 127030119
2-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 155987750
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 26709129
3-methyl-N-(4-morpholin-4-ylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 71778357
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-phenyl-1H-pyridine-3-carboxamide
CID 110650851
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689
1-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-6-oxopyridine-3-carboxamide
CID 110693106
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-propan-2-yloxybenzamide
CID 50946132
methyl 4-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]benzoate
CID 30857065
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
3,5-dibromo-2-iodo-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 4508199
2-ethylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53285947

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 110862549) is N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is CN1CCN(c2ccc(NC(=O)c3c[nH]c(=O)[nH]c3=O)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RGVUXJVQAOMTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-20-6-8-21(9-7-20)12-4-2-11(3-5-12)18-14(22)13-10-17-16(24)19-15(13)23/h2-5,10H,6-9H2,1H3,(H,18,22)(H2,17,19,23,24).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110862549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).