6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

C15H17N5O — CID 135422910

IUPAC6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)c1ccc(Nc2nc3[nH]ncc3c(=O)[nH]2)cc1
InChIInChI=1S/C15H17N5O/c1-15(2,3)9-4-6-10(7-5-9)17-14-18-12-11(8-16-20-12)13(21)19-14/h4-8H,1-3H3,(H3,16,17,18,19,20,21)
InChIKeyIQGZXXIZIJKDNB-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.69
Rot. Bonds2

About 6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one

6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135422910) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135422910
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)(C)c1ccc(Nc2nc3[nH]ncc3c(=O)[nH]2)cc1
InChIInChI=1S/C15H17N5O/c1-15(2,3)9-4-6-10(7-5-9)17-14-18-12-11(8-16-20-12)13(21)19-14/h4-8H,1-3H3,(H3,16,17,18,19,20,21)
InChIKeyIQGZXXIZIJKDNB-UHFFFAOYSA-N
XLogP2.69
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one (CID 135422910) is 6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is CC(C)(C)c1ccc(Nc2nc3[nH]ncc3c(=O)[nH]2)cc1.
What is the InChIKey of 6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IQGZXXIZIJKDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-15(2,3)9-4-6-10(7-5-9)17-14-18-12-11(8-16-20-12)13(21)19-14/h4-8H,1-3H3,(H3,16,17,18,19,20,21).
What are the key properties of 6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one?
6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 283.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylanilino)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135422910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).