4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine

C17H27N5O2 — CID 56890005

IUPAC4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
SMILESCOCCC1CN(c2nc(C(C)(C)C)nc3c2cnn3C)CCO1
InChIInChI=1S/C17H27N5O2/c1-17(2,3)16-19-14-13(10-18-21(14)4)15(20-16)22-7-9-24-12(11-22)6-8-23-5/h10,12H,6-9,11H2,1-5H3
InChIKeyVBMMXLUPLRRALN-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.90
Rot. Bonds4

About 4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine

4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine (PubChem CID 56890005) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine.

Molecular Properties

Compound Name4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
PubChem CID56890005
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
SMILESCOCCC1CN(c2nc(C(C)(C)C)nc3c2cnn3C)CCO1
InChIInChI=1S/C17H27N5O2/c1-17(2,3)16-19-14-13(10-18-21(14)4)15(20-16)22-7-9-24-12(11-22)6-8-23-5/h10,12H,6-9,11H2,1-5H3
InChIKeyVBMMXLUPLRRALN-UHFFFAOYSA-N
XLogP1.90
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine with MolForge

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Related Compounds

(2S)-4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
CID 95713086
N-(3-methoxypropyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 50795256
2-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 66435958
N-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 20959294
4-[2-(2-methoxyethyl)morpholin-4-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 155955250
4-(5-fluoro-4-methoxypyrimidin-2-yl)-2-(2-methoxyethyl)morpholine
CID 131900324
6-tert-butyl-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56899150
(2S)-4-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)-2-(2-methoxyethyl)morpholine
CID 95123943
(2R)-1-[(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-methylamino]-3-methoxypropan-2-ol
CID 95723879
6-tert-butyl-4-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1-methylpyrazolo[5,4-d]pyrimidine
CID 56901773
6-tert-butyl-N-[[1-(methoxymethyl)cyclopropyl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56886002
(2R)-4-(1-methyl-6-pyridin-3-ylpyrazolo[5,4-d]pyrimidin-4-yl)-2-phenylmorpholine
CID 95709255

Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine?
The IUPAC name of 4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine (CID 56890005) is 4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine.
What is the SMILES notation for 4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine?
The canonical SMILES for 4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine is COCCC1CN(c2nc(C(C)(C)C)nc3c2cnn3C)CCO1.
What is the InChIKey of 4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine?
The InChIKey is VBMMXLUPLRRALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-17(2,3)16-19-14-13(10-18-21(14)4)15(20-16)22-7-9-24-12(11-22)6-8-23-5/h10,12H,6-9,11H2,1-5H3.
What are the key properties of 4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine?
4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine has a molecular weight of 333.44 g/mol, XLogP of 1.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)-2-(2-methoxyethyl)morpholine is sourced from PubChem (CID 56890005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).