2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol

C16H21N7O — CID 137147771

IUPAC2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCn1cc(-c2nc(NC3CCCCC3N)nc3c[nH]c(O)c23)cn1
InChIInChI=1S/C16H21N7O/c1-23-8-9(6-19-23)14-13-12(7-18-15(13)24)21-16(22-14)20-11-5-3-2-4-10(11)17/h6-8,10-11,18,24H,2-5,17H2,1H3,(H,20,21)
InChIKeyMRIBBLBPZPFJFT-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.75
Rot. Bonds3

About 2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol

2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol (PubChem CID 137147771) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol
PubChem CID137147771
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCn1cc(-c2nc(NC3CCCCC3N)nc3c[nH]c(O)c23)cn1
InChIInChI=1S/C16H21N7O/c1-23-8-9(6-19-23)14-13-12(7-18-15(13)24)21-16(22-14)20-11-5-3-2-4-10(11)17/h6-8,10-11,18,24H,2-5,17H2,1H3,(H,20,21)
InChIKeyMRIBBLBPZPFJFT-UHFFFAOYSA-N
XLogP1.75
TPSA117.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol with MolForge

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Related Compounds

US10294229, Example 103
CID 124160309
2-(Ethylamino)-6-(4-ethylphenyl)pyrrolo[3,4-d]pyrimidin-5-ol
CID 155542594
2-(Methylamino)-6-(2-phenylethyl)pyrrolo[3,4-d]pyrimidin-5-ol
CID 155568896
2-[4-(1H-benzimidazol-2-yl)-1-phenylpyrazol-3-yl]phenol
CID 139232748
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol
CID 137021720
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[1-(4-fluorophenyl)pyrazol-4-yl]-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137030825
3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-ol
CID 137031866
2-Chloro-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-d]pyrimidin-5-ol
CID 137032547
2-(2,6-Difluorophenyl)-6-(3,5-dimethoxy-2-methylhexa-2,4-dienyl)-4-[(1-methylpyrazol-4-yl)amino]pyrrolo[3,4-d]pyrimidin-5-ol
CID 137036954
6-[[(2R)-2-amino-3,3-difluorocyclohexyl]amino]-4-[1-(difluoromethyl)pyrazol-4-yl]-7-fluoro-2H-pyrrolo[3,4-c]pyridin-3-ol
CID 137037581
2-[(2-aminocyclohexyl)amino]-4-[1-(4-fluorophenyl)pyrazol-4-yl]-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137045070
2-(2,6-difluorophenyl)-4-[(1-methylpyrazol-4-yl)amino]-6H-pyrrolo[3,4-d]pyrimidin-5-ol
CID 137047083

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
The IUPAC name of 2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol (CID 137147771) is 2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol is Cn1cc(-c2nc(NC3CCCCC3N)nc3c[nH]c(O)c23)cn1.
What is the InChIKey of 2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
The InChIKey is MRIBBLBPZPFJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O/c1-23-8-9(6-19-23)14-13-12(7-18-15(13)24)21-16(22-14)20-11-5-3-2-4-10(11)17/h6-8,10-11,18,24H,2-5,17H2,1H3,(H,20,21).
What are the key properties of 2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol has a molecular weight of 327.39 g/mol, XLogP of 1.75, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)amino]-4-(1-methylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 137147771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).