2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one

C17H25N5O3 — CID 56898809

IUPAC2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCNCC2C(=O)N2CCCC2)c(=O)[nH]1
InChIInChI=1S/C17H25N5O3/c1-11(2)14-19-9-12(15(23)20-14)16(24)22-8-5-18-10-13(22)17(25)21-6-3-4-7-21/h9,11,13,18H,3-8,10H2,1-2H3,(H,19,20,23)
InChIKeyLRMLJDSDFJYQBN-UHFFFAOYSA-N
MW347.42 g/mol
LogP-0.07
Rot. Bonds3

About 2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one

2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 56898809) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID56898809
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCNCC2C(=O)N2CCCC2)c(=O)[nH]1
InChIInChI=1S/C17H25N5O3/c1-11(2)14-19-9-12(15(23)20-14)16(24)22-8-5-18-10-13(22)17(25)21-6-3-4-7-21/h9,11,13,18H,3-8,10H2,1-2H3,(H,19,20,23)
InChIKeyLRMLJDSDFJYQBN-UHFFFAOYSA-N
XLogP-0.07
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-2-methylhexahydro-2H-pyrazino[1,2-a]pyrazin-1(6H)-one
CID 50959516
2-isopropyl-5-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 56872069
6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-N-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 24719393
N-butan-2-yl-6-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1H-pyrimidine-5-carboxamide
CID 42843940
N-[(1-isobutylpyrrolidin-3-yl)methyl]-2-isopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 56710372
(4R)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56713154
(4S)-4-amino-N,N-diethyl-1-[(2-isopropyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]-L-prolinamide
CID 56721658
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 56884213
5-[(4-isobutyl-2-methyl-3-oxo-1-piperazinyl)carbonyl]-4(3H)-pyrimidinone
CID 70746516
N-ethyl-2-{4-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-1-piperazinyl}acetamide
CID 72909858
2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74233281
2-cyclopropyl-N-[2-(diisopropylamino)ethyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74248400

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one (CID 56898809) is 2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one is CC(C)c1ncc(C(=O)N2CCNCC2C(=O)N2CCCC2)c(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is LRMLJDSDFJYQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11(2)14-19-9-12(15(23)20-14)16(24)22-8-5-18-10-13(22)17(25)21-6-3-4-7-21/h9,11,13,18H,3-8,10H2,1-2H3,(H,19,20,23).
What are the key properties of 2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one?
2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 347.42 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-[2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 56898809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).