4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

C15H24N6 — CID 107403121

IUPAC4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCCNc1nc(N(CC)CC2CCC2)c2cn[nH]c2n1
InChIInChI=1S/C15H24N6/c1-3-8-16-15-18-13-12(9-17-20-13)14(19-15)21(4-2)10-11-6-5-7-11/h9,11H,3-8,10H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyWSGDUZXLMZXCRS-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.80
Rot. Bonds7

About 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine

4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (PubChem CID 107403121) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
PubChem CID107403121
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC Name4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
SMILESCCCNc1nc(N(CC)CC2CCC2)c2cn[nH]c2n1
InChIInChI=1S/C15H24N6/c1-3-8-16-15-18-13-12(9-17-20-13)14(19-15)21(4-2)10-11-6-5-7-11/h9,11H,3-8,10H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyWSGDUZXLMZXCRS-UHFFFAOYSA-N
XLogP2.80
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine (CID 107403121) is 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is CCCNc1nc(N(CC)CC2CCC2)c2cn[nH]c2n1.
What is the InChIKey of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is WSGDUZXLMZXCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-3-8-16-15-18-13-12(9-17-20-13)14(19-15)21(4-2)10-11-6-5-7-11/h9,11H,3-8,10H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine?
4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 288.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 107403121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).