2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine

C19H24N6 — CID 42667648

IUPAC2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCC(C)(C)n1nc2nc(NCC3CC3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C19H24N6/c1-19(2,3)25-16(20)14-15(13-7-5-4-6-8-13)22-18(23-17(14)24-25)21-11-12-9-10-12/h4-8,12H,9-11,20H2,1-3H3,(H,21,23,24)
InChIKeyCBCHHLRLFDIMDZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.65
Rot. Bonds4

About 2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine

2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine (PubChem CID 42667648) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine.

Molecular Properties

Compound Name2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
PubChem CID42667648
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILESCC(C)(C)n1nc2nc(NCC3CC3)nc(-c3ccccc3)c2c1N
InChIInChI=1S/C19H24N6/c1-19(2,3)25-16(20)14-15(13-7-5-4-6-8-13)22-18(23-17(14)24-25)21-11-12-9-10-12/h4-8,12H,9-11,20H2,1-3H3,(H,21,23,24)
InChIKeyCBCHHLRLFDIMDZ-UHFFFAOYSA-N
XLogP3.65
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The IUPAC name of 2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine (CID 42667648) is 2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine.
What is the SMILES notation for 2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The canonical SMILES for 2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine is CC(C)(C)n1nc2nc(NCC3CC3)nc(-c3ccccc3)c2c1N.
What is the InChIKey of 2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
The InChIKey is CBCHHLRLFDIMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-19(2,3)25-16(20)14-15(13-7-5-4-6-8-13)22-18(23-17(14)24-25)21-11-12-9-10-12/h4-8,12H,9-11,20H2,1-3H3,(H,21,23,24).
What are the key properties of 2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine?
2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine has a molecular weight of 336.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-N-(cyclopropylmethyl)-4-phenylpyrazolo[3,4-d]pyrimidine-3,6-diamine is sourced from PubChem (CID 42667648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).