5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile

C16H15N5O — CID 130204068

IUPAC5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile
SMILESN#Cc1cc(-c2ccnc(NC3COC3)n2)cc2c1NCC2
InChIInChI=1S/C16H15N5O/c17-7-12-6-11(5-10-1-3-18-15(10)12)14-2-4-19-16(21-14)20-13-8-22-9-13/h2,4-6,13,18H,1,3,8-9H2,(H,19,20,21)
InChIKeyXTVHFOBIKOCQNB-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.79
Rot. Bonds3

About 5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile

5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile (PubChem CID 130204068) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile
PubChem CID130204068
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile
SMILESN#Cc1cc(-c2ccnc(NC3COC3)n2)cc2c1NCC2
InChIInChI=1S/C16H15N5O/c17-7-12-6-11(5-10-1-3-18-15(10)12)14-2-4-19-16(21-14)20-13-8-22-9-13/h2,4-6,13,18H,1,3,8-9H2,(H,19,20,21)
InChIKeyXTVHFOBIKOCQNB-UHFFFAOYSA-N
XLogP1.79
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[(4-aminocyclohexyl)amino]pyrimidin-4-yl]-2-fluorobenzonitrile
CID 166300470
2-(oxan-3-ylamino)pyrimidine-4-carbonitrile
CID 107544503
3-[2-[(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)amino]pyrimidin-4-yl]benzonitrile
CID 73139939
3-[2-[[(3R,3aR,6R,6aS)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]amino]pyrimidin-4-yl]benzonitrile
CID 162811414
2-(2-chlorophenyl)-N-[2-cyano-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]phenyl]acetamide
CID 130204505
3-(hydroxymethyl)-3-methyl-5-[2-[[1-methyl-5-(4-methylmorpholin-3-yl)pyrazol-3-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
CID 146569797
4-(4-chlorophenyl)-N-piperidin-4-ylpyrimidin-2-amine
CID 54584009
(3R)-3-(hydroxymethyl)-3-methyl-5-[2-[[3-(oxan-4-yl)-1-propan-2-ylpyrazol-5-yl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
CID 145427981
(3R)-5-[2-(5-cyano-2-methylanilino)pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 130270640
5-[2-[(2,5-dimethylpyrazol-3-yl)amino]pyrimidin-4-yl]-3-(hydroxymethyl)-3-methyl-1,2-dihydroindole-7-carbonitrile
CID 145428116
2-hydroxy-5-[2-[[6-methoxy-5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]pyrimidin-4-yl]benzonitrile
CID 138576450
5-[[4-[7-cyano-3-(hydroxymethyl)-3-methyl-1,2-dihydroindol-5-yl]pyrimidin-2-yl]amino]-2-fluoro-4-methyl-N-(oxetan-3-ylmethyl)benzamide
CID 130268435

Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile?
The IUPAC name of 5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile (CID 130204068) is 5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile.
What is the SMILES notation for 5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile?
The canonical SMILES for 5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile is N#Cc1cc(-c2ccnc(NC3COC3)n2)cc2c1NCC2.
What is the InChIKey of 5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile?
The InChIKey is XTVHFOBIKOCQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c17-7-12-6-11(5-10-1-3-18-15(10)12)14-2-4-19-16(21-14)20-13-8-22-9-13/h2,4-6,13,18H,1,3,8-9H2,(H,19,20,21).
What are the key properties of 5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile?
5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile has a molecular weight of 293.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxetan-3-ylamino)pyrimidin-4-yl]-2,3-dihydro-1H-indole-7-carbonitrile is sourced from PubChem (CID 130204068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).