1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide

C15H24N4O3 — CID 84555556

IUPAC1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCCCCN2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H24N4O3/c1-17-11-12(14(21)18(2)15(17)22)13(20)16-7-3-4-8-19-9-5-6-10-19/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyVODHBRMKVPDXNU-UHFFFAOYSA-N
MW308.38 g/mol
LogP-0.31
Rot. Bonds6

About 1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide

1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide (PubChem CID 84555556) has the molecular formula C15H24N4O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide
PubChem CID84555556
Molecular FormulaC15H24N4O3
Molecular Weight308.38 g/mol
Exact Mass308.18
IUPAC Name1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCCCCN2CCCC2)c(=O)n(C)c1=O
InChIInChI=1S/C15H24N4O3/c1-17-11-12(14(21)18(2)15(17)22)13(20)16-7-3-4-8-19-9-5-6-10-19/h11H,3-10H2,1-2H3,(H,16,20)
InChIKeyVODHBRMKVPDXNU-UHFFFAOYSA-N
XLogP-0.31
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84555533
2,6-dimethyl-1-oxo-N-(2-pyrrolidin-1-ylethyl)isoquinoline-4-carboxamide
CID 67965449
1-methyl-N-(3-pyrrolidin-1-ylpropyl)pyrrole-2-carboxamide
CID 141062303
2-hydroxy-3-methyl-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 60712545
2-amino-N-(5-piperidin-1-ylpentyl)benzamide
CID 119947207
2,5-dichloro-N-(5-piperidin-1-ylpentyl)benzamide
CID 110440779
2-methyl-N-(3-pyrrolidin-1-ylpropyl)-5-sulfanylbenzamide
CID 107029176
2-ethoxy-N-(7-pyrrolidin-1-ylheptyl)benzamide
CID 47074532
5-chloro-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 94885064
4-(dimethylamino)-N-(4-piperidin-1-ylbutyl)benzamide
CID 110444431
3-fluoro-2-(methylamino)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 62991871
N-[2-(azepan-1-yl)ethyl]-2-bromo-5-methylbenzamide
CID 80979640

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide (CID 84555556) is 1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide is Cn1cc(C(=O)NCCCCN2CCCC2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide?
The InChIKey is VODHBRMKVPDXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3/c1-17-11-12(14(21)18(2)15(17)22)13(20)16-7-3-4-8-19-9-5-6-10-19/h11H,3-10H2,1-2H3,(H,16,20).
What are the key properties of 1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide?
1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 84555556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).