4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

C12H16N4O2 — CID 56887877

IUPAC4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCOCc1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C12H16N4O2/c1-17-9-10-8-12(15-4-6-18-7-5-15)16-11(14-10)2-3-13-16/h2-3,8H,4-7,9H2,1H3
InChIKeyTWTBZAXDQXTGJQ-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.71
Rot. Bonds3

About 4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine

4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (PubChem CID 56887877) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.

Molecular Properties

Compound Name4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
PubChem CID56887877
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
SMILESCOCc1cc(N2CCOCC2)n2nccc2n1
InChIInChI=1S/C12H16N4O2/c1-17-9-10-8-12(15-4-6-18-7-5-15)16-11(14-10)2-3-13-16/h2-3,8H,4-7,9H2,1H3
InChIKeyTWTBZAXDQXTGJQ-UHFFFAOYSA-N
XLogP0.71
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201635
5-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
CID 12366069
N-(2,2-difluoroethyl)-5-(methoxymethyl)-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 56789615
7-(4-Cyclohexyl-1-piperazinyl)-5-(methoxymethyl)pyrazolo[1,5-a]pyrimidine
CID 56888017
5-(methoxymethyl)-N-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56913536
5-(methoxymethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56918516
N-cyclopropyl-N-(2,2-difluoroethyl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 72015635
N-(2,2-difluoroethyl)-N-(2-methoxyethyl)-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 72015638
2-tert-butyl-6-(methoxymethyl)-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 75431432
4-[7-(Trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]morpholine
CID 134852626
N,5-dimethyl-N-[2-(4-morpholinyl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 56889058
7-(Dimethoxymethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1477541

Frequently Asked Questions

What is the IUPAC name of 4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The IUPAC name of 4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine (CID 56887877) is 4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine.
What is the SMILES notation for 4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The canonical SMILES for 4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is COCc1cc(N2CCOCC2)n2nccc2n1.
What is the InChIKey of 4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
The InChIKey is TWTBZAXDQXTGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-17-9-10-8-12(15-4-6-18-7-5-15)16-11(14-10)2-3-13-16/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine?
4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine has a molecular weight of 248.29 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine is sourced from PubChem (CID 56887877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).