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

C12H19N5 — CID 16638404

IUPACN-hexyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCCCCCCNc1ncnc2c(C)[nH]nc12
InChIInChI=1S/C12H19N5/c1-3-4-5-6-7-13-12-11-10(14-8-15-12)9(2)16-17-11/h8H,3-7H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeySOQNFAQPKAADMI-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.65
Rot. Bonds6

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

N-hexyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 16638404) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-hexyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-hexyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID16638404
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-hexyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCCCCCCNc1ncnc2c(C)[nH]nc12
InChIInChI=1S/C12H19N5/c1-3-4-5-6-7-13-12-11-10(14-8-15-12)9(2)16-17-11/h8H,3-7H2,1-2H3,(H,16,17)(H,13,14,15)
InChIKeySOQNFAQPKAADMI-UHFFFAOYSA-N
XLogP2.65
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of N-hexyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine (CID 16638404) is N-hexyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for N-hexyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for N-hexyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is CCCCCCNc1ncnc2c(C)[nH]nc12.
What is the InChIKey of N-hexyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is SOQNFAQPKAADMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-4-5-6-7-13-12-11-10(14-8-15-12)9(2)16-17-11/h8H,3-7H2,1-2H3,(H,16,17)(H,13,14,15).
What are the key properties of N-hexyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine?
N-hexyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 233.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-3-methyl-2H-pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 16638404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).