2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide

C12H18N4O3 — CID 63300927

IUPAC2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide
SMILESCCCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCNC1
InChIInChI=1S/C12H18N4O3/c1-2-5-16(8-3-4-13-7-8)11(18)9-6-10(17)15-12(19)14-9/h6,8,13H,2-5,7H2,1H3,(H2,14,15,17,19)
InChIKeyQSLVVJRQDNYBAE-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.72
Rot. Bonds4

About 2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide

2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide (PubChem CID 63300927) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide
PubChem CID63300927
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide
SMILESCCCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCNC1
InChIInChI=1S/C12H18N4O3/c1-2-5-16(8-3-4-13-7-8)11(18)9-6-10(17)15-12(19)14-9/h6,8,13H,2-5,7H2,1H3,(H2,14,15,17,19)
InChIKeyQSLVVJRQDNYBAE-UHFFFAOYSA-N
XLogP-0.72
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide (CID 63300927) is 2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide is CCCN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C1CCNC1.
What is the InChIKey of 2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide?
The InChIKey is QSLVVJRQDNYBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-5-16(8-3-4-13-7-8)11(18)9-6-10(17)15-12(19)14-9/h6,8,13H,2-5,7H2,1H3,(H2,14,15,17,19).
What are the key properties of 2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide?
2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-propyl-N-pyrrolidin-3-yl-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 63300927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).