3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide

C18H30N6O3 — CID 167960708

IUPAC3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCN(C)c1nc(CN(C)C2CCN(C(=O)NCC3CCCO3)C2)cc(=O)[nH]1
InChIInChI=1S/C18H30N6O3/c1-22(2)17-20-13(9-16(25)21-17)11-23(3)14-6-7-24(12-14)18(26)19-10-15-5-4-8-27-15/h9,14-15H,4-8,10-12H2,1-3H3,(H,19,26)(H,20,21,25)
InChIKeyGXWXIUMWJPQCGG-UHFFFAOYSA-N
MW378.48 g/mol
LogP0.23
Rot. Bonds6

About 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide

3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 167960708) has the molecular formula C18H30N6O3 and a molecular weight of 378.48 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID167960708
Molecular FormulaC18H30N6O3
Molecular Weight378.48 g/mol
Exact Mass378.24
IUPAC Name3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide
SMILESCN(C)c1nc(CN(C)C2CCN(C(=O)NCC3CCCO3)C2)cc(=O)[nH]1
InChIInChI=1S/C18H30N6O3/c1-22(2)17-20-13(9-16(25)21-17)11-23(3)14-6-7-24(12-14)18(26)19-10-15-5-4-8-27-15/h9,14-15H,4-8,10-12H2,1-3H3,(H,19,26)(H,20,21,25)
InChIKeyGXWXIUMWJPQCGG-UHFFFAOYSA-N
XLogP0.23
TPSA93.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(furan-3-ylmethyl)pyrrolidine-1-carboxamide
CID 137218322
4-[[[(3S)-1-[2-[(2R)-butan-2-yl]oxyacetyl]pyrrolidin-3-yl]-methylamino]methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 137204441
4-[[[1-[3-chloro-5-(trifluoromethyl)benzoyl]pyrrolidin-3-yl]-methylamino]methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 167748238
(3R)-3-[(2-amino-6-oxo-1H-pyrimidin-4-yl)methyl-methylamino]-N-[(1-cyclopropylcyclobutyl)methyl]pyrrolidine-1-carboxamide
CID 137179509
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
2-amino-4-[[methyl-[(3S)-1-[3-(5-methylfuran-2-yl)propanoyl]pyrrolidin-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 137242317
4-[(3-methyl-6-oxopyridazin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 126863858
2-amino-4-[[[(3R)-1-(2-cyclohexyloxyacetyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
CID 137179542
(3S)-3-(1H-benzimidazol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 94585398
(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1-carboxamide
CID 129429998
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 129416913
N-[[(2S)-oxolan-2-yl]methyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 95157984

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide (CID 167960708) is 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide is CN(C)c1nc(CN(C)C2CCN(C(=O)NCC3CCCO3)C2)cc(=O)[nH]1.
What is the InChIKey of 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is GXWXIUMWJPQCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O3/c1-22(2)17-20-13(9-16(25)21-17)11-23(3)14-6-7-24(12-14)18(26)19-10-15-5-4-8-27-15/h9,14-15H,4-8,10-12H2,1-3H3,(H,19,26)(H,20,21,25).
What are the key properties of 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide?
3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-6-oxo-1H-pyrimidin-4-yl]methyl-methylamino]-N-(oxolan-2-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 167960708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).