N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide

C19H30N6O3 — CID 42843940

IUPACN-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(N2CCN(CC(=O)N3CCCC3)CC2)[nH]c1=O
InChIInChI=1S/C19H30N6O3/c1-3-14(2)21-17(27)15-12-20-19(22-18(15)28)25-10-8-23(9-11-25)13-16(26)24-6-4-5-7-24/h12,14H,3-11,13H2,1-2H3,(H,21,27)(H,20,22,28)
InChIKeyKUDLUURFQVDRTQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP0.04
Rot. Bonds6

About N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide

N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide (PubChem CID 42843940) has the molecular formula C19H30N6O3 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide
PubChem CID42843940
Molecular FormulaC19H30N6O3
Molecular Weight390.49 g/mol
Exact Mass390.24
IUPAC NameN-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide
SMILESCCC(C)NC(=O)c1cnc(N2CCN(CC(=O)N3CCCC3)CC2)[nH]c1=O
InChIInChI=1S/C19H30N6O3/c1-3-14(2)21-17(27)15-12-20-19(22-18(15)28)25-10-8-23(9-11-25)13-16(26)24-6-4-5-7-24/h12,14H,3-11,13H2,1-2H3,(H,21,27)(H,20,22,28)
InChIKeyKUDLUURFQVDRTQ-UHFFFAOYSA-N
XLogP0.04
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
N-[5-[4-[(2S)-2,4-diaminobutanoyl]piperazin-1-yl]-6-oxo-1H-pyrimidin-2-yl]acetamide
CID 118591460
2-(2-aminopropanoylamino)-N-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 132211107
6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 24719393
N-(2-methoxyethyl)-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide
CID 42843939
5-[(4-isobutyl-2-methyl-3-oxo-1-piperazinyl)carbonyl]-4(3H)-pyrimidinone
CID 70746516
2-(methylamino)-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82510824
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-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96392725
5-[(2S)-2-methyl-4-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]-1H-pyrimidin-6-one
CID 96392727
N-[(3R)-1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-pyrrolidin-1-ylacetamide
CID 136759860

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide (CID 42843940) is N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide is CCC(C)NC(=O)c1cnc(N2CCN(CC(=O)N3CCCC3)CC2)[nH]c1=O.
What is the InChIKey of N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide?
The InChIKey is KUDLUURFQVDRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O3/c1-3-14(2)21-17(27)15-12-20-19(22-18(15)28)25-10-8-23(9-11-25)13-16(26)24-6-4-5-7-24/h12,14H,3-11,13H2,1-2H3,(H,21,27)(H,20,22,28).
What are the key properties of N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide?
N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 42843940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).