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

C14H15N5O3 — CID 36992731

IUPAC1-cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile
SMILESCCCc1noc(Cn2c(=O)c(C#N)cn(C3CC3)c2=O)n1
InChIInChI=1S/C14H15N5O3/c1-2-3-11-16-12(22-17-11)8-19-13(20)9(6-15)7-18(14(19)21)10-4-5-10/h7,10H,2-5,8H2,1H3
InChIKeyNKHFLRBKDUKCBA-UHFFFAOYSA-N
MW301.31 g/mol
LogP0.60
Rot. Bonds5

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

1-cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile (PubChem CID 36992731) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 1-cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile
PubChem CID36992731
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name1-cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile
SMILESCCCc1noc(Cn2c(=O)c(C#N)cn(C3CC3)c2=O)n1
InChIInChI=1S/C14H15N5O3/c1-2-3-11-16-12(22-17-11)8-19-13(20)9(6-15)7-18(14(19)21)10-4-5-10/h7,10H,2-5,8H2,1H3
InChIKeyNKHFLRBKDUKCBA-UHFFFAOYSA-N
XLogP0.60
TPSA106.71 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile (CID 36992731) is 1-cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile is CCCc1noc(Cn2c(=O)c(C#N)cn(C3CC3)c2=O)n1.
What is the InChIKey of 1-cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile?
The InChIKey is NKHFLRBKDUKCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-2-3-11-16-12(22-17-11)8-19-13(20)9(6-15)7-18(14(19)21)10-4-5-10/h7,10H,2-5,8H2,1H3.
What are the key properties of 1-cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile?
1-cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile has a molecular weight of 301.31 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 36992731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).