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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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).