3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C10H15N5 — CID 57350721

IUPAC3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCc1nn(C)c2ncnc(N)c12
InChIInChI=1S/C10H15N5/c1-3-4-5-7-8-9(11)12-6-13-10(8)15(2)14-7/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyIRCDZZVXFUBIIK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.29
Rot. Bonds3

About 3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 57350721) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID57350721
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCc1nn(C)c2ncnc(N)c12
InChIInChI=1S/C10H15N5/c1-3-4-5-7-8-9(11)12-6-13-10(8)15(2)14-7/h6H,3-5H2,1-2H3,(H2,11,12,13)
InChIKeyIRCDZZVXFUBIIK-UHFFFAOYSA-N
XLogP1.29
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)propan-1-ol
CID 58269140
1-methyl-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine
CID 131107177
1-tert-butyl-3-(4-butylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 59633547
9-nonylpurin-6-amine
CID 3816519
3-butyl-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80524694
3-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57350625
3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159423289
1-methyl-3-N-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 155613690
3-(4-ethoxy-3-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166787512
5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-N,N-diethyl-1,3-benzoxazol-2-amine
CID 130380349
3-(4-amino-2-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 139562099
CID 159575581
CID 159575581

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 57350721) is 3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCCCc1nn(C)c2ncnc(N)c12.
What is the InChIKey of 3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is IRCDZZVXFUBIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-3-4-5-7-8-9(11)12-6-13-10(8)15(2)14-7/h6H,3-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 205.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 57350721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).