1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C16H25N5 — CID 133480522

IUPAC1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(CCC1CC1)Nc1ncnc2c1cnn2C(C)(C)C
InChIInChI=1S/C16H25N5/c1-11(5-6-12-7-8-12)20-14-13-9-19-21(16(2,3)4)15(13)18-10-17-14/h9-12H,5-8H2,1-4H3,(H,17,18,20)
InChIKeyDEGCQPZLOAUJMY-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.57
Rot. Bonds5

About 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 133480522) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID133480522
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(CCC1CC1)Nc1ncnc2c1cnn2C(C)(C)C
InChIInChI=1S/C16H25N5/c1-11(5-6-12-7-8-12)20-14-13-9-19-21(16(2,3)4)15(13)18-10-17-14/h9-12H,5-8H2,1-4H3,(H,17,18,20)
InChIKeyDEGCQPZLOAUJMY-UHFFFAOYSA-N
XLogP3.57
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-benzyl-2-N-(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)-1-N-methylpropane-1,2-diamine
CID 133435832
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898
1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 133440412
(2R)-2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 122050626
3-[[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 167925262
3-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)butane-1,3-diamine
CID 83179391
1-methyl-N-(4-methylsulfinylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115689354
N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133473317
1-methyl-N-(1-methylsulfanylpropan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 115637656
1-tert-butyl-N-[2-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 138008326
(2R)-1-[4-(1-tert-butylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 133486326
1-N,1-N-dimethyl-2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 82939474

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 133480522) is 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(CCC1CC1)Nc1ncnc2c1cnn2C(C)(C)C.
What is the InChIKey of 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DEGCQPZLOAUJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-11(5-6-12-7-8-12)20-14-13-9-19-21(16(2,3)4)15(13)18-10-17-14/h9-12H,5-8H2,1-4H3,(H,17,18,20).
What are the key properties of 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 287.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133480522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).