2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide

C18H25N5O3 — CID 74248649

IUPAC2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2cnc(C3CC3)[nH]c2=O)CC1)NC1CC1
InChIInChI=1S/C18H25N5O3/c24-15(20-12-3-4-12)10-23-7-5-13(6-8-23)21-17(25)14-9-19-16(11-1-2-11)22-18(14)26/h9,11-13H,1-8,10H2,(H,20,24)(H,21,25)(H,19,22,26)
InChIKeyDUJVXHCJCHVCHJ-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.12
Rot. Bonds6

About 2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 74248649) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID74248649
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(CN1CCC(NC(=O)c2cnc(C3CC3)[nH]c2=O)CC1)NC1CC1
InChIInChI=1S/C18H25N5O3/c24-15(20-12-3-4-12)10-23-7-5-13(6-8-23)21-17(25)14-9-19-16(11-1-2-11)22-18(14)26/h9,11-13H,1-8,10H2,(H,20,24)(H,21,25)(H,19,22,26)
InChIKeyDUJVXHCJCHVCHJ-UHFFFAOYSA-N
XLogP0.12
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-cyclopropyl-5-({4-[1-(dimethylamino)ethyl]-1-piperidinyl}carbonyl)-4(3H)-pyrimidinone
CID 70777499
3-Butyl-4-[(4-hydroxy-2-methylpyrimidin-5-yl)carbonyl]-1-methylpiperazin-2-one
CID 72878704
2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74233281
N~2~-[(2-cyclopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-isoleucinamide
CID 74242020
2-cyclopropyl-N-[2-(diisopropylamino)ethyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74248400
2-propan-2-yl-5-[(2R)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 95724112
2-propan-2-yl-5-[(2S)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 95724113
5-[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 97127640
5-[(2S)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 97127641
2-cyclopropyl-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97872291

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 74248649) is 2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide is O=C(CN1CCC(NC(=O)c2cnc(C3CC3)[nH]c2=O)CC1)NC1CC1.
What is the InChIKey of 2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DUJVXHCJCHVCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c24-15(20-12-3-4-12)10-23-7-5-13(6-8-23)21-17(25)14-9-19-16(11-1-2-11)22-18(14)26/h9,11-13H,1-8,10H2,(H,20,24)(H,21,25)(H,19,22,26).
What are the key properties of 2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 74248649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).