1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile

C10H14N4O2 — CID 79875743

IUPAC1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCN(C)CCn1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N4O2/c1-3-13(2)4-5-14-7-8(6-11)9(15)12-10(14)16/h7H,3-5H2,1-2H3,(H,12,15,16)
InChIKeyCCPPOURESWYIBD-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.64
Rot. Bonds4

About 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile

1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile (PubChem CID 79875743) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile
PubChem CID79875743
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile
SMILESCCN(C)CCn1cc(C#N)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N4O2/c1-3-13(2)4-5-14-7-8(6-11)9(15)12-10(14)16/h7H,3-5H2,1-2H3,(H,12,15,16)
InChIKeyCCPPOURESWYIBD-UHFFFAOYSA-N
XLogP-0.64
TPSA81.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.64
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
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 235106
1-[3-[4-[3-(5-Cyano-2,4-dioxopyrimidin-1-yl)propyl]piperazin-1-yl]propyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 1815303
4-(Ethylamino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 12418534
1-Isopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 2779165
N-(2-Aminoethyl)-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamide
CID 4264356
1-Propylthymine
CID 10702254
1-Cyanomethylthymine
CID 11137485
1-Ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 12261431
1-(Azetidin-3-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile hydrochloride
CID 126838167
3-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanenitrile
CID 9989821
1,3-Dimethyl-5-cyanouracil
CID 12205682

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile (CID 79875743) is 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile is CCN(C)CCn1cc(C#N)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile?
The InChIKey is CCPPOURESWYIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-3-13(2)4-5-14-7-8(6-11)9(15)12-10(14)16/h7H,3-5H2,1-2H3,(H,12,15,16).
What are the key properties of 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile?
1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile has a molecular weight of 222.25 g/mol, XLogP of -0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 79875743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).