N,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide

C16H25N3O2 — CID 136548601

IUPACN,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H25N3O2/c1-3-5-9-19(10-6-4-2)16(21)13-11-14(20)18-15(17-13)12-7-8-12/h11-12H,3-10H2,1-2H3,(H,17,18,20)
InChIKeyHMIVXDKSUPCYMA-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.69
Rot. Bonds8

About N,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide

N,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136548601) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136548601
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H25N3O2/c1-3-5-9-19(10-6-4-2)16(21)13-11-14(20)18-15(17-13)12-7-8-12/h11-12H,3-10H2,1-2H3,(H,17,18,20)
InChIKeyHMIVXDKSUPCYMA-UHFFFAOYSA-N
XLogP2.69
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 136548601) is N,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide is CCCCN(CCCC)C(=O)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of N,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is HMIVXDKSUPCYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-5-9-19(10-6-4-2)16(21)13-11-14(20)18-15(17-13)12-7-8-12/h11-12H,3-10H2,1-2H3,(H,17,18,20).
What are the key properties of N,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide?
N,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-cyclopropyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136548601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).