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

C14H15N3O — CID 133403593

IUPAC1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1cnc(NC2CCc3c(O)cccc32)nc1
InChIInChI=1S/C14H15N3O/c1-9-7-15-14(16-8-9)17-12-6-5-11-10(12)3-2-4-13(11)18/h2-4,7-8,12,18H,5-6H2,1H3,(H,15,16,17)
InChIKeyDIBXLTYSHHODEY-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.59
Rot. Bonds2

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

1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 133403593) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID133403593
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol
SMILESCc1cnc(NC2CCc3c(O)cccc32)nc1
InChIInChI=1S/C14H15N3O/c1-9-7-15-14(16-8-9)17-12-6-5-11-10(12)3-2-4-13(11)18/h2-4,7-8,12,18H,5-6H2,1H3,(H,15,16,17)
InChIKeyDIBXLTYSHHODEY-UHFFFAOYSA-N
XLogP2.59
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-(dimethylamino)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 43690629
1-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 82794380
1-(4-iodoanilino)-2,3-dihydro-1H-inden-4-ol
CID 43637127
1-(4-chloro-2-methylanilino)-2,3-dihydro-1H-inden-4-ol
CID 43637031
1-[(2-propan-2-yloxy-3-pyridinyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 61379245
1-(3,5-difluoroanilino)-2,3-dihydro-1H-inden-4-ol
CID 43637015
1-methyl-N-(5-methylpyrimidin-2-yl)-3,4-dihydro-2H-quinolin-4-amine
CID 170403121
N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(4-methylpyrazol-1-yl)acetamide
CID 95626542
1-[(2-methylcyclopropyl)amino]-2,3-dihydro-1H-inden-4-ol
CID 62397315
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-2-methylbenzamide
CID 43694186
4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbenzoic acid
CID 43736148
1-[(2-methyl-1,3-benzoxazol-5-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 43637082

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol (CID 133403593) is 1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol is Cc1cnc(NC2CCc3c(O)cccc32)nc1.
What is the InChIKey of 1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is DIBXLTYSHHODEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-7-15-14(16-8-9)17-12-6-5-11-10(12)3-2-4-13(11)18/h2-4,7-8,12,18H,5-6H2,1H3,(H,15,16,17).
What are the key properties of 1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol?
1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 241.29 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylpyrimidin-2-yl)amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 133403593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).