2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol

C10H13N5O2 — CID 178105957

IUPAC2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol
SMILESCOc1n[nH]c2nc(C)nc(NC3CC3O)c12
InChIInChI=1S/C10H13N5O2/c1-4-11-8(13-5-3-6(5)16)7-9(12-4)14-15-10(7)17-2/h5-6,16H,3H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyKAIRELMHHSJXQH-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.22
Rot. Bonds3

About 2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol

2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol (PubChem CID 178105957) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol.

Molecular Properties

Compound Name2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol
PubChem CID178105957
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol
SMILESCOc1n[nH]c2nc(C)nc(NC3CC3O)c12
InChIInChI=1S/C10H13N5O2/c1-4-11-8(13-5-3-6(5)16)7-9(12-4)14-15-10(7)17-2/h5-6,16H,3H2,1-2H3,(H2,11,12,13,14,15)
InChIKeyKAIRELMHHSJXQH-UHFFFAOYSA-N
XLogP0.22
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol with MolForge

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Related Compounds

ethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 178044450
ethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 178044829
3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 178104898
4-N-cyclopropyl-3-methoxy-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 178106890
(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 178044451
1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 178044830

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol?
The IUPAC name of 2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol (CID 178105957) is 2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol.
What is the SMILES notation for 2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol?
The canonical SMILES for 2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol is COc1n[nH]c2nc(C)nc(NC3CC3O)c12.
What is the InChIKey of 2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol?
The InChIKey is KAIRELMHHSJXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-4-11-8(13-5-3-6(5)16)7-9(12-4)14-15-10(7)17-2/h5-6,16H,3H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol?
2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol has a molecular weight of 235.25 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)amino]cyclopropan-1-ol is sourced from PubChem (CID 178105957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).