1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C10H15N5 — CID 110431880

IUPAC1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(NC(C)C)c12
InChIInChI=1S/C10H15N5/c1-6(2)13-9-8-7(3)14-15(4)10(8)12-5-11-9/h5-6H,1-4H3,(H,11,12,13)
InChIKeyMFOUBYXAPKDSPJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.49
Rot. Bonds2

About 1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110431880) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110431880
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C)c2ncnc(NC(C)C)c12
InChIInChI=1S/C10H15N5/c1-6(2)13-9-8-7(3)14-15(4)10(8)12-5-11-9/h5-6H,1-4H3,(H,11,12,13)
InChIKeyMFOUBYXAPKDSPJ-UHFFFAOYSA-N
XLogP1.49
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95872622
N-(4-bromophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434878
N-(3,5-dichlorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434913
N-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 110431927
4-chloro-1,3-dimethylpyrazolo[5,4-d]pyrimidine
CID 13125572
1,3-dimethyl-N-(4-pyrrolidin-1-ylbutyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431932
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 110431951
N'-(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)hexane-1,6-diamine
CID 70751320
[1-[[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
CID 70738666
1,3-dimethyl-N-(2H-tetrazol-5-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56899250
2-[(1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-4-methylphenol
CID 110434921
N-(3,4-difluorophenyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110434946

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 110431880) is 1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C)c2ncnc(NC(C)C)c12.
What is the InChIKey of 1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is MFOUBYXAPKDSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-6(2)13-9-8-7(3)14-15(4)10(8)12-5-11-9/h5-6H,1-4H3,(H,11,12,13).
What are the key properties of 1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?
1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 205.26 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110431880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).