N-pentylpyrimidin-2-amine

C9H15N3 — CID 23423796

IUPACN-pentylpyrimidin-2-amine
SMILESCCCCCNc1ncccn1
InChIInChI=1S/C9H15N3/c1-2-3-4-6-10-9-11-7-5-8-12-9/h5,7-8H,2-4,6H2,1H3,(H,10,11,12)
InChIKeyLZKJSMXFCLJVEL-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.08
Rot. Bonds5

About N-pentylpyrimidin-2-amine

N-pentylpyrimidin-2-amine (PubChem CID 23423796) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N-pentylpyrimidin-2-amine.

Molecular Properties

Compound NameN-pentylpyrimidin-2-amine
PubChem CID23423796
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN-pentylpyrimidin-2-amine
SMILESCCCCCNc1ncccn1
InChIInChI=1S/C9H15N3/c1-2-3-4-6-10-9-11-7-5-8-12-9/h5,7-8H,2-4,6H2,1H3,(H,10,11,12)
InChIKeyLZKJSMXFCLJVEL-UHFFFAOYSA-N
XLogP2.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-pentylpyrimidin-2-amine?
The IUPAC name of N-pentylpyrimidin-2-amine (CID 23423796) is N-pentylpyrimidin-2-amine.
What is the SMILES notation for N-pentylpyrimidin-2-amine?
The canonical SMILES for N-pentylpyrimidin-2-amine is CCCCCNc1ncccn1.
What is the InChIKey of N-pentylpyrimidin-2-amine?
The InChIKey is LZKJSMXFCLJVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-3-4-6-10-9-11-7-5-8-12-9/h5,7-8H,2-4,6H2,1H3,(H,10,11,12).
What are the key properties of N-pentylpyrimidin-2-amine?
N-pentylpyrimidin-2-amine has a molecular weight of 165.24 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentylpyrimidin-2-amine is sourced from PubChem (CID 23423796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).