3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide

C20H23N5O2 — CID 91793169

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N(C)Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C20H23N5O2/c1-13-17(14(2)23-20(27)22-13)9-10-18(26)25(3)12-16-11-21-24-19(16)15-7-5-4-6-8-15/h4-8,11H,9-10,12H2,1-3H3,(H,21,24)(H,22,23,27)
InChIKeySPMNOAKCRVAVNO-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.37
Rot. Bonds6

About 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 91793169) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID91793169
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCc1nc(=O)[nH]c(C)c1CCC(=O)N(C)Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C20H23N5O2/c1-13-17(14(2)23-20(27)22-13)9-10-18(26)25(3)12-16-11-21-24-19(16)15-7-5-4-6-8-15/h4-8,11H,9-10,12H2,1-3H3,(H,21,24)(H,22,23,27)
InChIKeySPMNOAKCRVAVNO-UHFFFAOYSA-N
XLogP2.37
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide (CID 91793169) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide is Cc1nc(=O)[nH]c(C)c1CCC(=O)N(C)Cc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is SPMNOAKCRVAVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-17(14(2)23-20(27)22-13)9-10-18(26)25(3)12-16-11-21-24-19(16)15-7-5-4-6-8-15/h4-8,11H,9-10,12H2,1-3H3,(H,21,24)(H,22,23,27).
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 365.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 91793169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).