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

C17H23N7O — CID 137154468

IUPAC2-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCCn1cc(-c2nc(NC3CCCCC3N)nc3c[nH]c(O)c23)cn1
InChIInChI=1S/C17H23N7O/c1-2-24-9-10(7-20-24)15-14-13(8-19-16(14)25)22-17(23-15)21-12-6-4-3-5-11(12)18/h7-9,11-12,19,25H,2-6,18H2,1H3,(H,21,22)
InChIKeyYDLGXEBOLICQSW-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.23
Rot. Bonds4

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

2-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol (PubChem CID 137154468) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol
PubChem CID137154468
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name2-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol
SMILESCCn1cc(-c2nc(NC3CCCCC3N)nc3c[nH]c(O)c23)cn1
InChIInChI=1S/C17H23N7O/c1-2-24-9-10(7-20-24)15-14-13(8-19-16(14)25)22-17(23-15)21-12-6-4-3-5-11(12)18/h7-9,11-12,19,25H,2-6,18H2,1H3,(H,21,22)
InChIKeyYDLGXEBOLICQSW-UHFFFAOYSA-N
XLogP2.23
TPSA117.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
The IUPAC name of 2-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol (CID 137154468) is 2-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol.
What is the SMILES notation for 2-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
The canonical SMILES for 2-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol is CCn1cc(-c2nc(NC3CCCCC3N)nc3c[nH]c(O)c23)cn1.
What is the InChIKey of 2-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
The InChIKey is YDLGXEBOLICQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-2-24-9-10(7-20-24)15-14-13(8-19-16(14)25)22-17(23-15)21-12-6-4-3-5-11(12)18/h7-9,11-12,19,25H,2-6,18H2,1H3,(H,21,22).
What are the key properties of 2-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol?
2-[(2-aminocyclohexyl)amino]-4-(1-ethylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol has a molecular weight of 341.42 g/mol, XLogP of 2.23, 4 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-ethylpyrazol-4-yl)-6H-pyrrolo[3,4-d]pyrimidin-5-ol is sourced from PubChem (CID 137154468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).