1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine

C11H16N4 — CID 163990677

IUPAC1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine
SMILESCC(C)C(C)c1ncnc2c1cnn2C
InChIInChI=1S/C11H16N4/c1-7(2)8(3)10-9-5-14-15(4)11(9)13-6-12-10/h5-8H,1-4H3
InChIKeyUAJDWYWZGIKMJI-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.12
Rot. Bonds2

About 1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine

1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine (PubChem CID 163990677) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine
PubChem CID163990677
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine
SMILESCC(C)C(C)c1ncnc2c1cnn2C
InChIInChI=1S/C11H16N4/c1-7(2)8(3)10-9-5-14-15(4)11(9)13-6-12-10/h5-8H,1-4H3
InChIKeyUAJDWYWZGIKMJI-UHFFFAOYSA-N
XLogP2.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-ol
CID 63205559
4-(3-chlorobutan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidine
CID 63203147
1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43088482
3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)pentan-2-one
CID 63196667
3-methyl-1-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)butan-2-amine
CID 63197046
ethane;1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 143264470
1-methyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 31290694
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898
(2R)-1-[methyl-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)amino]propan-2-ol
CID 95136191
4-cyclopropyl-1-methylpyrazolo[3,4-d]pyrimidine
CID 166783555
(2R)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]propanoic acid
CID 93056813
2-N-methyl-2-N-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 83837840

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine (CID 163990677) is 1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine is CC(C)C(C)c1ncnc2c1cnn2C.
What is the InChIKey of 1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine?
The InChIKey is UAJDWYWZGIKMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-7(2)8(3)10-9-5-14-15(4)11(9)13-6-12-10/h5-8H,1-4H3.
What are the key properties of 1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine?
1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine has a molecular weight of 204.28 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 163990677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).