N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine

C13H24N4 — CID 103278974

IUPACN'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCCCCc1cnc(NCCN)nc1C
InChIInChI=1S/C13H24N4/c1-3-4-5-6-7-12-10-16-13(15-9-8-14)17-11(12)2/h10H,3-9,14H2,1-2H3,(H,15,16,17)
InChIKeyNIYKNHHHQQRBJR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.28
Rot. Bonds8

About N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine

N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 103278974) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine
PubChem CID103278974
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCCCCc1cnc(NCCN)nc1C
InChIInChI=1S/C13H24N4/c1-3-4-5-6-7-12-10-16-13(15-9-8-14)17-11(12)2/h10H,3-9,14H2,1-2H3,(H,15,16,17)
InChIKeyNIYKNHHHQQRBJR-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.28
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'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine (CID 103278974) is N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine is CCCCCCc1cnc(NCCN)nc1C.
What is the InChIKey of N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is NIYKNHHHQQRBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-4-5-6-7-12-10-16-13(15-9-8-14)17-11(12)2/h10H,3-9,14H2,1-2H3,(H,15,16,17).
What are the key properties of N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine?
N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 103278974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).