2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide

C16H22N4O2 — CID 74236785

IUPAC2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)ncc1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C16H22N4O2/c1-11-13(10-18-15(19-11)12-5-6-12)16(22)17-7-3-9-20-8-2-4-14(20)21/h10,12H,2-9H2,1H3,(H,17,22)
InChIKeyXZAQVHAFANMUJS-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.40
Rot. Bonds6

About 2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide

2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide (PubChem CID 74236785) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
PubChem CID74236785
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
SMILESCc1nc(C2CC2)ncc1C(=O)NCCCN1CCCC1=O
InChIInChI=1S/C16H22N4O2/c1-11-13(10-18-15(19-11)12-5-6-12)16(22)17-7-3-9-20-8-2-4-14(20)21/h10,12H,2-9H2,1H3,(H,17,22)
InChIKeyXZAQVHAFANMUJS-UHFFFAOYSA-N
XLogP1.40
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide (CID 74236785) is 2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide is Cc1nc(C2CC2)ncc1C(=O)NCCCN1CCCC1=O.
What is the InChIKey of 2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
The InChIKey is XZAQVHAFANMUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11-13(10-18-15(19-11)12-5-6-12)16(22)17-7-3-9-20-8-2-4-14(20)21/h10,12H,2-9H2,1H3,(H,17,22).
What are the key properties of 2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 74236785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).