2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C18H26N4O3 — CID 154784729

IUPAC2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCN(CCN(C)C(=O)c1cnc(C2CC2)[nH]c1=O)C(=O)CCC1CC1
InChIInChI=1S/C18H26N4O3/c1-21(15(23)8-5-12-3-4-12)9-10-22(2)18(25)14-11-19-16(13-6-7-13)20-17(14)24/h11-13H,3-10H2,1-2H3,(H,19,20,24)
InChIKeyYNLYMSTUFATMGN-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.37
Rot. Bonds8

About 2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 154784729) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID154784729
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCN(CCN(C)C(=O)c1cnc(C2CC2)[nH]c1=O)C(=O)CCC1CC1
InChIInChI=1S/C18H26N4O3/c1-21(15(23)8-5-12-3-4-12)9-10-22(2)18(25)14-11-19-16(13-6-7-13)20-17(14)24/h11-13H,3-10H2,1-2H3,(H,19,20,24)
InChIKeyYNLYMSTUFATMGN-UHFFFAOYSA-N
XLogP1.37
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 154784729) is 2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is CN(CCN(C)C(=O)c1cnc(C2CC2)[nH]c1=O)C(=O)CCC1CC1.
What is the InChIKey of 2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YNLYMSTUFATMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-21(15(23)8-5-12-3-4-12)9-10-22(2)18(25)14-11-19-16(13-6-7-13)20-17(14)24/h11-13H,3-10H2,1-2H3,(H,19,20,24).
What are the key properties of 2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-[3-cyclopropylpropanoyl(methyl)amino]ethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 154784729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).