N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

C16H26N4O2 — CID 91829870

IUPACN-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NC(C)(C)CN2CCCC2)c(=O)[nH]1
InChIInChI=1S/C16H26N4O2/c1-11(2)13-17-9-12(14(21)18-13)15(22)19-16(3,4)10-20-7-5-6-8-20/h9,11H,5-8,10H2,1-4H3,(H,19,22)(H,17,18,21)
InChIKeyRBJFTOUQJXDOCT-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.50
Rot. Bonds5

About N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide

N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 91829870) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID91829870
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NC(C)(C)CN2CCCC2)c(=O)[nH]1
InChIInChI=1S/C16H26N4O2/c1-11(2)13-17-9-12(14(21)18-13)15(22)19-16(3,4)10-20-7-5-6-8-20/h9,11H,5-8,10H2,1-4H3,(H,19,22)(H,17,18,21)
InChIKeyRBJFTOUQJXDOCT-UHFFFAOYSA-N
XLogP1.50
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-isopropyl-5-{[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]carbonyl}pyrimidin-4(3H)-one
CID 56872069
2-isopropyl-5-{[2-(1-pyrrolidinylcarbonyl)-1-piperazinyl]carbonyl}-4(3H)-pyrimidinone
CID 56898809
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
2-Tert-butyl-4-hydroxy-N-[3-(2-oxopyrrolidin-1-YL)propyl]pyrimidine-5-carboxamide
CID 70740259
5-{[(3S*,4R*)-3-(dimethylamino)-4-isopropyl-1-pyrrolidinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 72879237
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
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 95216047
N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide
CID 95216048

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide (CID 91829870) is N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is CC(C)c1ncc(C(=O)NC(C)(C)CN2CCCC2)c(=O)[nH]1.
What is the InChIKey of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is RBJFTOUQJXDOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)13-17-9-12(14(21)18-13)15(22)19-16(3,4)10-20-7-5-6-8-20/h9,11H,5-8,10H2,1-4H3,(H,19,22)(H,17,18,21).
What are the key properties of N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide?
N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 91829870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).