N-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

C10H15N5 — CID 76847229

IUPACN-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)CCNc1ncnc2cn[nH]c12
InChIInChI=1S/C10H15N5/c1-7(2)3-4-11-10-9-8(5-14-15-9)12-6-13-10/h5-7H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyRQRXAHJTQAYPAW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.81
Rot. Bonds4

About N-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine

N-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 76847229) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID76847229
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC NameN-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCC(C)CCNc1ncnc2cn[nH]c12
InChIInChI=1S/C10H15N5/c1-7(2)3-4-11-10-9-8(5-14-15-9)12-6-13-10/h5-7H,3-4H2,1-2H3,(H,14,15)(H,11,12,13)
InChIKeyRQRXAHJTQAYPAW-UHFFFAOYSA-N
XLogP1.81
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine (CID 76847229) is N-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is CC(C)CCNc1ncnc2cn[nH]c12.
What is the InChIKey of N-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is RQRXAHJTQAYPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-7(2)3-4-11-10-9-8(5-14-15-9)12-6-13-10/h5-7H,3-4H2,1-2H3,(H,14,15)(H,11,12,13).
What are the key properties of N-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine?
N-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 205.26 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1H-pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 76847229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).