9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine

C16H18N10 — CID 23503405

IUPAC9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine
SMILESCC(C)Cn1c(-n2cccn2)nc2c(N)nc(Nc3ncccn3)nc21
InChIInChI=1S/C16H18N10/c1-10(2)9-25-13-11(21-16(25)26-8-4-7-20-26)12(17)22-15(23-13)24-14-18-5-3-6-19-14/h3-8,10H,9H2,1-2H3,(H3,17,18,19,22,23,24)
InChIKeyBDOWTCJBHBNAFO-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.78
Rot. Bonds5

About 9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine

9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine (PubChem CID 23503405) has the molecular formula C16H18N10 and a molecular weight of 350.39 g/mol. Its IUPAC name is 9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine
PubChem CID23503405
Molecular FormulaC16H18N10
Molecular Weight350.39 g/mol
Exact Mass350.17
IUPAC Name9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine
SMILESCC(C)Cn1c(-n2cccn2)nc2c(N)nc(Nc3ncccn3)nc21
InChIInChI=1S/C16H18N10/c1-10(2)9-25-13-11(21-16(25)26-8-4-7-20-26)12(17)22-15(23-13)24-14-18-5-3-6-19-14/h3-8,10H,9H2,1-2H3,(H3,17,18,19,22,23,24)
InChIKeyBDOWTCJBHBNAFO-UHFFFAOYSA-N
XLogP1.78
TPSA125.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
The IUPAC name of 9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine (CID 23503405) is 9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine.
What is the SMILES notation for 9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
The canonical SMILES for 9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine is CC(C)Cn1c(-n2cccn2)nc2c(N)nc(Nc3ncccn3)nc21.
What is the InChIKey of 9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
The InChIKey is BDOWTCJBHBNAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N10/c1-10(2)9-25-13-11(21-16(25)26-8-4-7-20-26)12(17)22-15(23-13)24-14-18-5-3-6-19-14/h3-8,10H,9H2,1-2H3,(H3,17,18,19,22,23,24).
What are the key properties of 9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine?
9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine has a molecular weight of 350.39 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylpropyl)-8-pyrazol-1-yl-2-N-pyrimidin-2-ylpurine-2,6-diamine is sourced from PubChem (CID 23503405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).