6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol

C16H16N6O — CID 163423794

IUPAC6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol
SMILESCn1nccc1Nc1nccc(-c2ccc3c(c2)C(O)NC3)n1
InChIInChI=1S/C16H16N6O/c1-22-14(5-7-19-22)21-16-17-6-4-13(20-16)10-2-3-11-9-18-15(23)12(11)8-10/h2-8,15,18,23H,9H2,1H3,(H,17,20,21)
InChIKeyAKTDUNHXSBXMBK-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.71
Rot. Bonds3

About 6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol

6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol (PubChem CID 163423794) has the molecular formula C16H16N6O and a molecular weight of 308.35 g/mol. Its IUPAC name is 6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol.

Molecular Properties

Compound Name6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol
PubChem CID163423794
Molecular FormulaC16H16N6O
Molecular Weight308.35 g/mol
Exact Mass308.14
IUPAC Name6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol
SMILESCn1nccc1Nc1nccc(-c2ccc3c(c2)C(O)NC3)n1
InChIInChI=1S/C16H16N6O/c1-22-14(5-7-19-22)21-16-17-6-4-13(20-16)10-2-3-11-9-18-15(23)12(11)8-10/h2-8,15,18,23H,9H2,1H3,(H,17,20,21)
InChIKeyAKTDUNHXSBXMBK-UHFFFAOYSA-N
XLogP1.71
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol with MolForge

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Related Compounds

4-(2-fluoro-4-pyridinyl)-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118209477
2-(cyclopropylmethyl)-6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3H-isoindol-1-one
CID 129077393
2-[(1S,2S)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol
CID 122619914
2-[(1R)-2-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]propan-2-ol
CID 122630895
cyclohexyl-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
CID 123632329
4-[1-[(3,3-difluorocyclobutyl)methyl]benzotriazol-5-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118219151
4-[3-(cyclohexylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118217044
[5-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-phenylmethanone
CID 130204055
N-methyl-7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
CID 118216820
(1R)-2-methyl-1-[7-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
CID 118216904
4-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 145343991
4-[3-[(4-methylcyclohexyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 118216827

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol?
The IUPAC name of 6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol (CID 163423794) is 6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol.
What is the SMILES notation for 6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol?
The canonical SMILES for 6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol is Cn1nccc1Nc1nccc(-c2ccc3c(c2)C(O)NC3)n1.
What is the InChIKey of 6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol?
The InChIKey is AKTDUNHXSBXMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-22-14(5-7-19-22)21-16-17-6-4-13(20-16)10-2-3-11-9-18-15(23)12(11)8-10/h2-8,15,18,23H,9H2,1H3,(H,17,20,21).
What are the key properties of 6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol?
6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol has a molecular weight of 308.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2,3-dihydro-1H-isoindol-1-ol is sourced from PubChem (CID 163423794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).