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

C17H26N4O3 — CID 97158056

IUPAC4-[[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCC1(CC)[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H](C)[C@@H]1OC
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/t10-,12-,13+/m1/s1
InChIKeyHYEOFLISMUSCOK-RTXFEEFZSA-N
MW334.42 g/mol
LogP1.21
Rot. Bonds5

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

4-[[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 97158056) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID97158056
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name4-[[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCCC1(CC)[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H](C)[C@@H]1OC
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/t10-,12-,13+/m1/s1
InChIKeyHYEOFLISMUSCOK-RTXFEEFZSA-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

Analyze 4-[[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

4-[(3-Ethoxy-2,2-dimethylcyclobutyl)-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 72128372
4-[[(2S,3R)-2-tert-butyloxolan-3-yl]methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 75511086
4-[(3-Ethoxyspiro[3.4]octan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 71995852
4-[(7,7-Dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 75373299
4-[(3-Ethoxyspiro[3.3]heptan-1-yl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 75373453
4-[(2,2-Diethyl-3-methoxy-4-methylcyclobutyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 75398951
1,3-Dimethyl-4-[[2-(2-methylpropyl)oxan-4-yl]amino]-2,6-dioxopyrimidine-5-carbonitrile
CID 75446439
4-[[(1S,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 95775302
4-[[(1S,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 95775303
4-[[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 95775304
4-[[(1R,3S)-3-ethoxy-2,2-dimethylcyclobutyl]-methylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 95775305
4-[[(1S,3R)-3-ethoxyspiro[3.4]octan-1-yl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 96474243

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 97158056) is 4-[[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is CCC1(CC)[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H](C)[C@@H]1OC.
What is the InChIKey of 4-[[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is HYEOFLISMUSCOK-RTXFEEFZSA-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/t10-,12-,13+/m1/s1.
What are the key properties of 4-[[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[[(1R,3S,4R)-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-[[(1R,3S,4R)-2,2-diethyl-3-methoxy-4-methylcyclobutyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 97158056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).