N-hexylpyrimidin-2-amine

C10H17N3 — CID 53318062

IUPACN-hexylpyrimidin-2-amine
SMILESCCCCCCNc1ncccn1
InChIInChI=1S/C10H17N3/c1-2-3-4-5-7-11-10-12-8-6-9-13-10/h6,8-9H,2-5,7H2,1H3,(H,11,12,13)
InChIKeyMWFIYTHIZQQGES-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.47
Rot. Bonds6

About N-hexylpyrimidin-2-amine

N-hexylpyrimidin-2-amine (PubChem CID 53318062) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-hexylpyrimidin-2-amine.

Molecular Properties

Compound NameN-hexylpyrimidin-2-amine
PubChem CID53318062
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-hexylpyrimidin-2-amine
SMILESCCCCCCNc1ncccn1
InChIInChI=1S/C10H17N3/c1-2-3-4-5-7-11-10-12-8-6-9-13-10/h6,8-9H,2-5,7H2,1H3,(H,11,12,13)
InChIKeyMWFIYTHIZQQGES-UHFFFAOYSA-N
XLogP2.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.47
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-hexylpyrimidin-2-amine?
The IUPAC name of N-hexylpyrimidin-2-amine (CID 53318062) is N-hexylpyrimidin-2-amine.
What is the SMILES notation for N-hexylpyrimidin-2-amine?
The canonical SMILES for N-hexylpyrimidin-2-amine is CCCCCCNc1ncccn1.
What is the InChIKey of N-hexylpyrimidin-2-amine?
The InChIKey is MWFIYTHIZQQGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-3-4-5-7-11-10-12-8-6-9-13-10/h6,8-9H,2-5,7H2,1H3,(H,11,12,13).
What are the key properties of N-hexylpyrimidin-2-amine?
N-hexylpyrimidin-2-amine has a molecular weight of 179.27 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylpyrimidin-2-amine is sourced from PubChem (CID 53318062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).