1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile

C13H15N5O3 — CID 36825553

IUPAC1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile
SMILESCCCc1noc(Cn2c(=O)c(C#N)cn(CC)c2=O)n1
InChIInChI=1S/C13H15N5O3/c1-3-5-10-15-11(21-16-10)8-18-12(19)9(6-14)7-17(4-2)13(18)20/h7H,3-5,8H2,1-2H3
InChIKeyPTVUUSYZSFPDPB-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.29
Rot. Bonds5

About 1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile

1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile (PubChem CID 36825553) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile
PubChem CID36825553
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile
SMILESCCCc1noc(Cn2c(=O)c(C#N)cn(CC)c2=O)n1
InChIInChI=1S/C13H15N5O3/c1-3-5-10-15-11(21-16-10)8-18-12(19)9(6-14)7-17(4-2)13(18)20/h7H,3-5,8H2,1-2H3
InChIKeyPTVUUSYZSFPDPB-UHFFFAOYSA-N
XLogP0.29
TPSA106.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile with MolForge

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Related Compounds

5-Iodo-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
CID 75470194
1,3-dimethyl-4-[(2S)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
CID 97008767
1-[[3-(2-Aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-fluoropyrimidine-2,4-dione
CID 63556997
1-Methyl-3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(trifluoromethyl)pyrimidine-2,4-dione
CID 146144074
1-Cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 36992614
1-Cyclopropyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 36992723
1-Cyclopropyl-2,4-dioxo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile
CID 36992724
1-Cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile
CID 36992731
3-[(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
CID 45828957
1,3-Dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
CID 71880714
(Z)-3-(dimethylamino)-2-(3-methyl-1,2,4-oxadiazol-5-yl)acrylonitrile
CID 90112073
(E)-3-(dimethylamino)-2-(3-methyl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile
CID 90112074

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile?
The IUPAC name of 1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile (CID 36825553) is 1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile is CCCc1noc(Cn2c(=O)c(C#N)cn(CC)c2=O)n1.
What is the InChIKey of 1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile?
The InChIKey is PTVUUSYZSFPDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-3-5-10-15-11(21-16-10)8-18-12(19)9(6-14)7-17(4-2)13(18)20/h7H,3-5,8H2,1-2H3.
What are the key properties of 1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile?
1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile has a molecular weight of 289.30 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 36825553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).