N-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

C18H19N5O2 — CID 70708933

IUPACN-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N(C)Cc3cnn(C)c3)c(=O)[nH]2)cc1
InChIInChI=1S/C18H19N5O2/c1-12-4-6-14(7-5-12)16-19-9-15(17(24)21-16)18(25)22(2)10-13-8-20-23(3)11-13/h4-9,11H,10H2,1-3H3,(H,19,21,24)
InChIKeyFTCFQYAHTOXOSM-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.75
Rot. Bonds4

About N-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide

N-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 70708933) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID70708933
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N(C)Cc3cnn(C)c3)c(=O)[nH]2)cc1
InChIInChI=1S/C18H19N5O2/c1-12-4-6-14(7-5-12)16-19-9-15(17(24)21-16)18(25)22(2)10-13-8-20-23(3)11-13/h4-9,11H,10H2,1-3H3,(H,19,21,24)
InChIKeyFTCFQYAHTOXOSM-UHFFFAOYSA-N
XLogP1.75
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 70708933) is N-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ccc(-c2ncc(C(=O)N(C)Cc3cnn(C)c3)c(=O)[nH]2)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FTCFQYAHTOXOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-4-6-14(7-5-12)16-19-9-15(17(24)21-16)18(25)22(2)10-13-8-20-23(3)11-13/h4-9,11H,10H2,1-3H3,(H,19,21,24).
What are the key properties of N-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
N-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70708933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).