3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide

C17H25N5O2 — CID 118782087

IUPAC3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
SMILESCc1cc(C)n(CC(C)NC(=O)CCc2c(C)nc(=O)[nH]c2C)n1
InChIInChI=1S/C17H25N5O2/c1-10-8-12(3)22(21-10)9-11(2)18-16(23)7-6-15-13(4)19-17(24)20-14(15)5/h8,11H,6-7,9H2,1-5H3,(H,18,23)(H,19,20,24)
InChIKeyGYBCBOBIGOOBLS-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.34
Rot. Bonds6

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

3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide (PubChem CID 118782087) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
PubChem CID118782087
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide
SMILESCc1cc(C)n(CC(C)NC(=O)CCc2c(C)nc(=O)[nH]c2C)n1
InChIInChI=1S/C17H25N5O2/c1-10-8-12(3)22(21-10)9-11(2)18-16(23)7-6-15-13(4)19-17(24)20-14(15)5/h8,11H,6-7,9H2,1-5H3,(H,18,23)(H,19,20,24)
InChIKeyGYBCBOBIGOOBLS-UHFFFAOYSA-N
XLogP1.34
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide?
The IUPAC name of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide (CID 118782087) is 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide is Cc1cc(C)n(CC(C)NC(=O)CCc2c(C)nc(=O)[nH]c2C)n1.
What is the InChIKey of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide?
The InChIKey is GYBCBOBIGOOBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10-8-12(3)22(21-10)9-11(2)18-16(23)7-6-15-13(4)19-17(24)20-14(15)5/h8,11H,6-7,9H2,1-5H3,(H,18,23)(H,19,20,24).
What are the key properties of 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide?
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide has a molecular weight of 331.42 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]propanamide is sourced from PubChem (CID 118782087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).