1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile

C14H22N4O2 — CID 79876624

IUPAC1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCN(CC)CCCC(C)n1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-4-17(5-2)8-6-7-11(3)18-10-12(9-15)13(19)16-14(18)20/h10-11H,4-8H2,1-3H3,(H,16,19,20)
InChIKeyYITWOMJVMIMQSV-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.09
Rot. Bonds7

About 1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile

1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 79876624) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID79876624
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCN(CC)CCCC(C)n1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C14H22N4O2/c1-4-17(5-2)8-6-7-11(3)18-10-12(9-15)13(19)16-14(18)20/h10-11H,4-8H2,1-3H3,(H,16,19,20)
InChIKeyYITWOMJVMIMQSV-UHFFFAOYSA-N
XLogP1.09
TPSA81.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyano-N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71654963
2,4(1H,3H)-Pyrimidinedione, 1-cyclopentyl-5-methyl-
CID 11557449
1-Cyclohexylthymine
CID 96032
1-Cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 239271
1-Isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 2779165
3-cyclohexyl-2,4-dioxo-1H-pyrimidine-5-carbonitrile
CID 349883
5-Methyl-1-pentylpyrimidine-2,4(1H,3H)-dione
CID 20076510
1-(4-Cyanobutyl)thymine
CID 10560254
2,4-Dioxo-1-(4,4,4-trifluorobutan-2-yl)pyrimidine-5-carbonitrile
CID 105926599
2,4-Dioxo-1-(5,5,5-trifluoropentyl)pyrimidine-5-carbonitrile
CID 113328202
1-Nonyl-2,4-dioxopyrimidine-5-carbonitrile
CID 1815362
1-Hexyl-2,4-dioxopyrimidine-5-carbonitrile
CID 1815363

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile (CID 79876624) is 1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile is CCN(CC)CCCC(C)n1cc(C#N)c(=O)[nH]c1=O.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is YITWOMJVMIMQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-17(5-2)8-6-7-11(3)18-10-12(9-15)13(19)16-14(18)20/h10-11H,4-8H2,1-3H3,(H,16,19,20).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile?
1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 79876624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).