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

C14H14ClN3O2 — CID 84596244

IUPAC(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCOc1ncc(Cl)c(N[C@H]2c3ccccc3C[C@H]2O)n1
InChIInChI=1S/C14H14ClN3O2/c1-20-14-16-7-10(15)13(18-14)17-12-9-5-3-2-4-8(9)6-11(12)19/h2-5,7,11-12,19H,6H2,1H3,(H,16,17,18)/t11-,12+/m1/s1
InChIKeyHZWSQLSMGBTZOC-NEPJUHHUSA-N
MW291.74 g/mol
LogP2.21
Rot. Bonds3

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

(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 84596244) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is (1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID84596244
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
SMILESCOc1ncc(Cl)c(N[C@H]2c3ccccc3C[C@H]2O)n1
InChIInChI=1S/C14H14ClN3O2/c1-20-14-16-7-10(15)13(18-14)17-12-9-5-3-2-4-8(9)6-11(12)19/h2-5,7,11-12,19H,6H2,1H3,(H,16,17,18)/t11-,12+/m1/s1
InChIKeyHZWSQLSMGBTZOC-NEPJUHHUSA-N
XLogP2.21
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol with MolForge

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Related Compounds

5-chloro-2-methoxy-N-(2-phenylcyclopropyl)pyrimidin-4-amine
CID 80757851
(1S,2R)-1-[(5-methoxyquinazolin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 167801808
1-[(3-cyclopropyl-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 22147456
(2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 59083163
(1R,2R)-1-[(5-aminopyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 178121485
methyl 3-(2,4-dichlorophenyl)-6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-methoxypyrazine-2-carboxylate
CID 58583361
1-N-(5-chloro-2-methoxypyrimidin-4-yl)-2,3-dihydro-1H-indene-1,5-diamine
CID 80752845
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-4-methoxybenzenesulfonamide
CID 165430397
5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 80758365
(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 58583415
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

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol (CID 84596244) is (1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol is COc1ncc(Cl)c(N[C@H]2c3ccccc3C[C@H]2O)n1.
What is the InChIKey of (1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is HZWSQLSMGBTZOC-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-20-14-16-7-10(15)13(18-14)17-12-9-5-3-2-4-8(9)6-11(12)19/h2-5,7,11-12,19H,6H2,1H3,(H,16,17,18)/t11-,12+/m1/s1.
What are the key properties of (1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol?
(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 291.74 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 84596244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).