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

C19H22N6O2 — CID 135956284

IUPAC3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
SMILESCc1nc(C)c(CCC(=O)NC(C)c2ccc(-n3cncn3)cc2)c(=O)[nH]1
InChIInChI=1S/C19H22N6O2/c1-12(15-4-6-16(7-5-15)25-11-20-10-21-25)23-18(26)9-8-17-13(2)22-14(3)24-19(17)27/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)(H,22,24,27)
InChIKeyDYGABPQWTDJLPV-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.78
Rot. Bonds6

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

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (PubChem CID 135956284) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
PubChem CID135956284
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
SMILESCc1nc(C)c(CCC(=O)NC(C)c2ccc(-n3cncn3)cc2)c(=O)[nH]1
InChIInChI=1S/C19H22N6O2/c1-12(15-4-6-16(7-5-15)25-11-20-10-21-25)23-18(26)9-8-17-13(2)22-14(3)24-19(17)27/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)(H,22,24,27)
InChIKeyDYGABPQWTDJLPV-UHFFFAOYSA-N
XLogP1.78
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[(1S)-1-phenylethyl]propanamide
CID 135954015
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135925527
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 17467935
3-thiophen-2-yl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 25397843
3-thiophen-2-yl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 17398792
2-amino-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide;hydrochloride
CID 119271884
3-(3,5-dimethoxyphenyl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 51232193
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(2-methylphenyl)ethyl]propanamide
CID 135930618
3-(4-methoxyphenoxy)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 24644422
3-phenyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]butanamide
CID 78804509
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 27864416
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 27864417

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide (CID 135956284) is 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide is Cc1nc(C)c(CCC(=O)NC(C)c2ccc(-n3cncn3)cc2)c(=O)[nH]1.
What is the InChIKey of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
The InChIKey is DYGABPQWTDJLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12(15-4-6-16(7-5-15)25-11-20-10-21-25)23-18(26)9-8-17-13(2)22-14(3)24-19(17)27/h4-7,10-12H,8-9H2,1-3H3,(H,23,26)(H,22,24,27).
What are the key properties of 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide?
3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide has a molecular weight of 366.43 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 135956284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).