(1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol

C13H14N4O — CID 178121485

IUPAC(1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESNc1cncnc1N[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C13H14N4O/c14-10-6-15-7-16-13(10)17-12-9-4-2-1-3-8(9)5-11(12)18/h1-4,6-7,11-12,18H,5,14H2,(H,15,16,17)/t11-,12-/m1/s1
InChIKeyMCULPJWPKFALPU-VXGBXAGGSA-N
MW242.28 g/mol
LogP1.13
Rot. Bonds2

About (1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol

(1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 178121485) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is (1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID178121485
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name(1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESNc1cncnc1N[C@@H]1c2ccccc2C[C@H]1O
InChIInChI=1S/C13H14N4O/c14-10-6-15-7-16-13(10)17-12-9-4-2-1-3-8(9)5-11(12)18/h1-4,6-7,11-12,18H,5,14H2,(H,15,16,17)/t11-,12-/m1/s1
InChIKeyMCULPJWPKFALPU-VXGBXAGGSA-N
XLogP1.13
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(5-iodopyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 66320288
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996
(1R,2S)-1-(thieno[3,2-d]pyrimidin-4-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 47371181
1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 22147456
(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 84596244
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
(2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 59083163
(1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
CID 71982317
3-amino-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyridine-2-carboxamide
CID 107221728
(1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 167801808
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 58583415

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol (CID 178121485) is (1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol is Nc1cncnc1N[C@@H]1c2ccccc2C[C@H]1O.
What is the InChIKey of (1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is MCULPJWPKFALPU-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H14N4O/c14-10-6-15-7-16-13(10)17-12-9-4-2-1-3-8(9)5-11(12)18/h1-4,6-7,11-12,18H,5,14H2,(H,15,16,17)/t11-,12-/m1/s1.
What are the key properties of (1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
(1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 242.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 178121485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).