4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C17H26N4O3 — CID 75398951

IUPAC4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCC1(CC)C(Nc2c(C#N)c(=O)n(C)c(=O)n2C)C(C)C1OC
InChIInChI=1S/C17H26N4O3/c1-7-17(8-2)12(10(3)13(17)24-6)19-14-11(9-18)15(22)21(5)16(23)20(14)4/h10,12-13,19H,7-8H2,1-6H3
InChIKeyHYEOFLISMUSCOK-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.21
Rot. Bonds5

About 4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 75398951) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID75398951
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCC1(CC)C(Nc2c(C#N)c(=O)n(C)c(=O)n2C)C(C)C1OC
InChIInChI=1S/C17H26N4O3/c1-7-17(8-2)12(10(3)13(17)24-6)19-14-11(9-18)15(22)21(5)16(23)20(14)4/h10,12-13,19H,7-8H2,1-6H3
InChIKeyHYEOFLISMUSCOK-UHFFFAOYSA-N
XLogP1.21
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 75398951) is 4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is CCC1(CC)C(Nc2c(C#N)c(=O)n(C)c(=O)n2C)C(C)C1OC.
What is the InChIKey of 4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is HYEOFLISMUSCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-7-17(8-2)12(10(3)13(17)24-6)19-14-11(9-18)15(22)21(5)16(23)20(14)4/h10,12-13,19H,7-8H2,1-6H3.
What are the key properties of 4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 334.42 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 75398951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).