N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C19H27N7O2 — CID 56706863

IUPACN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)C2=C(C)NC(=O)NC2c2nc[nH]c2C)c1C
InChIInChI=1S/C19H27N7O2/c1-6-14-10(2)25-26(13(14)5)8-7-20-18(27)15-11(3)23-19(28)24-17(15)16-12(4)21-9-22-16/h9,17H,6-8H2,1-5H3,(H,20,27)(H,21,22)(H2,23,24,28)
InChIKeyZZFUENBPXPVFGC-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.54
Rot. Bonds6

About N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 56706863) has the molecular formula C19H27N7O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID56706863
Molecular FormulaC19H27N7O2
Molecular Weight385.47 g/mol
Exact Mass385.22
IUPAC NameN-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCc1c(C)nn(CCNC(=O)C2=C(C)NC(=O)NC2c2nc[nH]c2C)c1C
InChIInChI=1S/C19H27N7O2/c1-6-14-10(2)25-26(13(14)5)8-7-20-18(27)15-11(3)23-19(28)24-17(15)16-12(4)21-9-22-16/h9,17H,6-8H2,1-5H3,(H,20,27)(H,21,22)(H2,23,24,28)
InChIKeyZZFUENBPXPVFGC-UHFFFAOYSA-N
XLogP1.54
TPSA116.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 56706863) is N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCc1c(C)nn(CCNC(=O)C2=C(C)NC(=O)NC2c2nc[nH]c2C)c1C.
What is the InChIKey of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is ZZFUENBPXPVFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O2/c1-6-14-10(2)25-26(13(14)5)8-7-20-18(27)15-11(3)23-19(28)24-17(15)16-12(4)21-9-22-16/h9,17H,6-8H2,1-5H3,(H,20,27)(H,21,22)(H2,23,24,28).
What are the key properties of N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.54, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethyl]-6-methyl-4-(5-methyl-1H-imidazol-4-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56706863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).