N-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

C9H11N5 — CID 16638962

IUPACN-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1[nH]nc2c(NC3CC3)ncnc12
InChIInChI=1S/C9H11N5/c1-5-7-8(14-13-5)9(11-4-10-7)12-6-2-3-6/h4,6H,2-3H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyCTRMXAARLMLINT-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.24
Rot. Bonds2

About N-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine

N-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 16638962) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID16638962
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC NameN-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1[nH]nc2c(NC3CC3)ncnc12
InChIInChI=1S/C9H11N5/c1-5-7-8(14-13-5)9(11-4-10-7)12-6-2-3-6/h4,6H,2-3H2,1H3,(H,13,14)(H,10,11,12)
InChIKeyCTRMXAARLMLINT-UHFFFAOYSA-N
XLogP1.24
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of N-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (CID 16638962) is N-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for N-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is Cc1[nH]nc2c(NC3CC3)ncnc12.
What is the InChIKey of N-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is CTRMXAARLMLINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-5-7-8(14-13-5)9(11-4-10-7)12-6-2-3-6/h4,6H,2-3H2,1H3,(H,13,14)(H,10,11,12).
What are the key properties of N-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
N-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 189.22 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 16638962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).