4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

C18H21N5O2 — CID 32810633

IUPAC4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESC[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)N1CCc2ccccc21
InChIInChI=1S/C18H21N5O2/c1-12(23-9-8-13-6-4-5-7-15(13)23)11-20-16-14(10-19)17(24)22(3)18(25)21(16)2/h4-7,12,20H,8-9,11H2,1-3H3/t12-/m1/s1
InChIKeyCGAASPGERLGCMC-GFCCVEGCSA-N
MW339.40 g/mol
LogP0.82
Rot. Bonds4

About 4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile

4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 32810633) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID32810633
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESC[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)N1CCc2ccccc21
InChIInChI=1S/C18H21N5O2/c1-12(23-9-8-13-6-4-5-7-15(13)23)11-20-16-14(10-19)17(24)22(3)18(25)21(16)2/h4-7,12,20H,8-9,11H2,1-3H3/t12-/m1/s1
InChIKeyCGAASPGERLGCMC-GFCCVEGCSA-N
XLogP0.82
TPSA83.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile with MolForge

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Related Compounds

4-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133273201
1-(4-cyanophenyl)-3-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]urea
CID 38887286
2-(2,3-dihydroindol-1-yl)-N-(dimethylaminosulfanyl)propan-1-amine
CID 170221823
4-[[2-(4-chlorophenyl)-2-hydroxyethyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 42947573
N-[2-(2,3-dihydroindol-1-yl)propyl]piperidine-1-sulfinamide
CID 170221851
4-amino-N-[2-(2,3-dihydroindol-1-yl)propyl]pentanamide;dihydrochloride
CID 120564829
4-[2-[(S)-benzylsulfinyl]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 95620024
4-[[2-[bis(prop-2-enyl)amino]-3-methylbutyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 24680586
2-(3,4-dihydro-2H-quinolin-1-yl)-N-propan-2-ylpropan-1-amine
CID 62425260
2-[[(2S)-2-(2,3-dihydroindol-1-yl)propyl]amino]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 95264326
1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile
CID 36833360
4-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethylamino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 32882238

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 32810633) is 4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is C[C@H](CNc1c(C#N)c(=O)n(C)c(=O)n1C)N1CCc2ccccc21.
What is the InChIKey of 4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is CGAASPGERLGCMC-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12(23-9-8-13-6-4-5-7-15(13)23)11-20-16-14(10-19)17(24)22(3)18(25)21(16)2/h4-7,12,20H,8-9,11H2,1-3H3/t12-/m1/s1.
What are the key properties of 4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 339.40 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(2,3-dihydroindol-1-yl)propyl]amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 32810633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).