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

C19H31N5O — CID 133440412

IUPAC1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(CC)C1CC(Nc2ncnc3c2cnn3C(C)(C)C)CCO1
InChIInChI=1S/C19H31N5O/c1-6-13(7-2)16-10-14(8-9-25-16)23-17-15-11-22-24(19(3,4)5)18(15)21-12-20-17/h11-14,16H,6-10H2,1-5H3,(H,20,21,23)
InChIKeyWOIZQSARUAQTKK-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.98
Rot. Bonds5

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

1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 133440412) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID133440412
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCC(CC)C1CC(Nc2ncnc3c2cnn3C(C)(C)C)CCO1
InChIInChI=1S/C19H31N5O/c1-6-13(7-2)16-10-14(8-9-25-16)23-17-15-11-22-24(19(3,4)5)18(15)21-12-20-17/h11-14,16H,6-10H2,1-5H3,(H,20,21,23)
InChIKeyWOIZQSARUAQTKK-UHFFFAOYSA-N
XLogP3.98
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133461839
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440380
1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one
CID 133439346
2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide
CID 133440405
1-tert-butyl-N-(4-cyclopropylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 133480522
6-chloro-3-[(2-pentan-3-yloxan-4-yl)amino]pyridazine-4-carboxamide
CID 133438757
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440407
6-[(2-pentan-3-yloxan-4-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137273800
3-[3-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 128998768
5-nitro-2-N-(2-pentan-3-yloxan-4-yl)pyrimidine-2,4-diamine
CID 133441656
N-(1-benzyl-4-methylpyrrolidin-3-yl)-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133473317
4-methoxy-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440360

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 133440412) is 1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CCC(CC)C1CC(Nc2ncnc3c2cnn3C(C)(C)C)CCO1.
What is the InChIKey of 1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is WOIZQSARUAQTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-6-13(7-2)16-10-14(8-9-25-16)23-17-15-11-22-24(19(3,4)5)18(15)21-12-20-17/h11-14,16H,6-10H2,1-5H3,(H,20,21,23).
What are the key properties of 1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 345.49 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(2-pentan-3-yloxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 133440412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).