2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one

C19H28N6O3 — CID 137242328

IUPAC2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
SMILESCCc1onc(C)c1C(=O)N1CC[C@@H](N(C)Cc2cc(=O)[nH]c(N(C)C)n2)C1
InChIInChI=1S/C19H28N6O3/c1-6-15-17(12(2)22-28-15)18(27)25-8-7-14(11-25)24(5)10-13-9-16(26)21-19(20-13)23(3)4/h9,14H,6-8,10-11H2,1-5H3,(H,20,21,26)/t14-/m1/s1
InChIKeyVEWONKBNZISJJF-CQSZACIVSA-N
MW388.47 g/mol
LogP1.04
Rot. Bonds6

About 2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one

2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one (PubChem CID 137242328) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
PubChem CID137242328
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one
SMILESCCc1onc(C)c1C(=O)N1CC[C@@H](N(C)Cc2cc(=O)[nH]c(N(C)C)n2)C1
InChIInChI=1S/C19H28N6O3/c1-6-15-17(12(2)22-28-15)18(27)25-8-7-14(11-25)24(5)10-13-9-16(26)21-19(20-13)23(3)4/h9,14H,6-8,10-11H2,1-5H3,(H,20,21,26)/t14-/m1/s1
InChIKeyVEWONKBNZISJJF-CQSZACIVSA-N
XLogP1.04
TPSA98.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one (CID 137242328) is 2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one is CCc1onc(C)c1C(=O)N1CC[C@@H](N(C)Cc2cc(=O)[nH]c(N(C)C)n2)C1.
What is the InChIKey of 2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one?
The InChIKey is VEWONKBNZISJJF-CQSZACIVSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-6-15-17(12(2)22-28-15)18(27)25-8-7-14(11-25)24(5)10-13-9-16(26)21-19(20-13)23(3)4/h9,14H,6-8,10-11H2,1-5H3,(H,20,21,26)/t14-/m1/s1.
What are the key properties of 2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one?
2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one has a molecular weight of 388.47 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-[[[(3R)-1-(5-ethyl-3-methyl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]-methylamino]methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137242328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).