3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C11H16N6O2 — CID 178104898

IUPAC3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1n[nH]c2nc(N)nc(N3CCCOCC3)c12
InChIInChI=1S/C11H16N6O2/c1-18-10-7-8(15-16-10)13-11(12)14-9(7)17-3-2-5-19-6-4-17/h2-6H2,1H3,(H3,12,13,14,15,16)
InChIKeyLOJXHSFQSKDAEF-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.17
Rot. Bonds2

About 3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 178104898) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID178104898
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCOc1n[nH]c2nc(N)nc(N3CCCOCC3)c12
InChIInChI=1S/C11H16N6O2/c1-18-10-7-8(15-16-10)13-11(12)14-9(7)17-3-2-5-19-6-4-17/h2-6H2,1H3,(H3,12,13,14,15,16)
InChIKeyLOJXHSFQSKDAEF-UHFFFAOYSA-N
XLogP0.17
TPSA102.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 596791
10-(Difluoromethyl)-9-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine
CID 178104782
10-(Difluoromethyl)-6,9-dimethyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
CID 178104824
9-Fluoro-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine
CID 178104947
4-methoxy-N,N-dimethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 10867185
3-ethoxy-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 67034454
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
ethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178044970
(10R)-6,10-dimethyl-9-[(3R,5S)-5-methyloxolan-3-yl]-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraene
CID 178104795
3-Methoxy-4-(1,4-oxazepan-4-yl)pyrazolo[5,4-d]pyrimidin-1-id-6-amine;rhenium
CID 178104897
Ethane;9-methyl-12-oxa-2,3,5,7,9-pentazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7-tetraen-6-amine;oxolane
CID 178104908

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 178104898) is 3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is COc1n[nH]c2nc(N)nc(N3CCCOCC3)c12.
What is the InChIKey of 3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is LOJXHSFQSKDAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-18-10-7-8(15-16-10)13-11(12)14-9(7)17-3-2-5-19-6-4-17/h2-6H2,1H3,(H3,12,13,14,15,16).
What are the key properties of 3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 264.29 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 178104898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).