4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile

C14H12N4O — CID 166335295

IUPAC4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N[C@@H]2c3ccccc3C[C@H]2O)n1
InChIInChI=1S/C14H12N4O/c15-8-13-16-6-5-12(17-13)18-14-10-4-2-1-3-9(10)7-11(14)19/h1-6,11,14,19H,7H2,(H,16,17,18)/t11-,14-/m1/s1
InChIKeyKRHFJACVMLGTBR-BXUZGUMPSA-N
MW252.28 g/mol
LogP1.42
Rot. Bonds2

About 4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile

4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile (PubChem CID 166335295) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile
PubChem CID166335295
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N[C@@H]2c3ccccc3C[C@H]2O)n1
InChIInChI=1S/C14H12N4O/c15-8-13-16-6-5-12(17-13)18-14-10-4-2-1-3-9(10)7-11(14)19/h1-6,11,14,19H,7H2,(H,16,17,18)/t11-,14-/m1/s1
InChIKeyKRHFJACVMLGTBR-BXUZGUMPSA-N
XLogP1.42
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile
CID 133392135
6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyridine-3-carbonitrile
CID 100899920
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996
(1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
CID 71982317
(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133447953
(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 58583415
4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile
CID 152510354
3,5-difluoro-4-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]benzonitrile
CID 133447944
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate
CID 133490320
(1R,2S)-1-[(4,5,6-trimethylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 162630957
1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 22147456

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile?
The IUPAC name of 4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile (CID 166335295) is 4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile?
The canonical SMILES for 4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile is N#Cc1nccc(N[C@@H]2c3ccccc3C[C@H]2O)n1.
What is the InChIKey of 4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile?
The InChIKey is KRHFJACVMLGTBR-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H12N4O/c15-8-13-16-6-5-12(17-13)18-14-10-4-2-1-3-9(10)7-11(14)19/h1-6,11,14,19H,7H2,(H,16,17,18)/t11-,14-/m1/s1.
What are the key properties of 4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile?
4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile has a molecular weight of 252.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]pyrimidine-2-carbonitrile is sourced from PubChem (CID 166335295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).