2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide

C17H27N5O2 — CID 74233281

IUPAC2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(CCNC(=O)c1cnc(C2CC2)[nH]c1=O)N1CCN(C)CC1
InChIInChI=1S/C17H27N5O2/c1-12(22-9-7-21(2)8-10-22)5-6-18-16(23)14-11-19-15(13-3-4-13)20-17(14)24/h11-13H,3-10H2,1-2H3,(H,18,23)(H,19,20,24)
InChIKeyJLDXISVTAWULFD-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.40
Rot. Bonds6

About 2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 74233281) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID74233281
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC(CCNC(=O)c1cnc(C2CC2)[nH]c1=O)N1CCN(C)CC1
InChIInChI=1S/C17H27N5O2/c1-12(22-9-7-21(2)8-10-22)5-6-18-16(23)14-11-19-15(13-3-4-13)20-17(14)24/h11-13H,3-10H2,1-2H3,(H,18,23)(H,19,20,24)
InChIKeyJLDXISVTAWULFD-UHFFFAOYSA-N
XLogP0.40
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-N-isopropyl-6-oxo-N-(2,2,2-trifluoroethyl)-1,6-dihydropyrimidine-5-carboxamide
CID 74232881
8-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-2-methylhexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 50959516
5-[(1,9-dimethyl-1,4,9-triazaspiro[5.5]undec-4-yl)carbonyl]-2-isopropylpyrimidin-4(3H)-one
CID 56742402
2-isopropyl-5-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 56872069
5-{[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}-2-isopropyl-4(3H)-pyrimidinone
CID 56874033
2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
N-{1-[(cyclohexylamino)carbonyl]piperidin-4-yl}-2-cyclopropyl-4-hydroxypyrimidine-5-carboxamide
CID 70747856
N-cyclopropyl-1'-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-1,4'-bipiperidine-3-carboxamide
CID 56760168
2-cyclopropyl-N-methyl-6-oxo-N-{[1-(1-piperidinyl)cyclohexyl]methyl}-1,6-dihydro-5-pyrimidinecarboxamide
CID 56884318
5-({2-[2-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 56914559
5-[(4-isobutyl-2-methyl-3-oxo-1-piperazinyl)carbonyl]-4(3H)-pyrimidinone
CID 70746516
5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-2-methyl-4(3H)-pyrimidinone
CID 70752567

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 74233281) is 2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide is CC(CCNC(=O)c1cnc(C2CC2)[nH]c1=O)N1CCN(C)CC1.
What is the InChIKey of 2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is JLDXISVTAWULFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-12(22-9-7-21(2)8-10-22)5-6-18-16(23)14-11-19-15(13-3-4-13)20-17(14)24/h11-13H,3-10H2,1-2H3,(H,18,23)(H,19,20,24).
What are the key properties of 2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 333.44 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 74233281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).