5-methyl-N-octylpyrimidin-2-amine

C13H23N3 — CID 115568974

IUPAC5-methyl-N-octylpyrimidin-2-amine
SMILESCCCCCCCCNc1ncc(C)cn1
InChIInChI=1S/C13H23N3/c1-3-4-5-6-7-8-9-14-13-15-10-12(2)11-16-13/h10-11H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyRKXNCHNLMLMIEN-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.56
Rot. Bonds8

About 5-methyl-N-octylpyrimidin-2-amine

5-methyl-N-octylpyrimidin-2-amine (PubChem CID 115568974) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 5-methyl-N-octylpyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-octylpyrimidin-2-amine
PubChem CID115568974
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name5-methyl-N-octylpyrimidin-2-amine
SMILESCCCCCCCCNc1ncc(C)cn1
InChIInChI=1S/C13H23N3/c1-3-4-5-6-7-8-9-14-13-15-10-12(2)11-16-13/h10-11H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyRKXNCHNLMLMIEN-UHFFFAOYSA-N
XLogP3.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.56
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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Related Compounds

5-fluoro-N-octylpyrimidin-2-amine
CID 115765356
5-chloro-N-hexylpyrimidin-2-amine
CID 79555195
2-[(5-methylpyrimidin-2-yl)amino]ethanethiol
CID 116975357
4-N-decyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80854389
4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80835831
5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
CID 63208283
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
2-(pentylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109263774
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
N-(2-ethylhexyl)-5-methylpyrimidin-2-amine
CID 107816474
heptane;methyl N-(5-methylpyrimidin-2-yl)carbamate
CID 143703085

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-octylpyrimidin-2-amine?
The IUPAC name of 5-methyl-N-octylpyrimidin-2-amine (CID 115568974) is 5-methyl-N-octylpyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-octylpyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-octylpyrimidin-2-amine is CCCCCCCCNc1ncc(C)cn1.
What is the InChIKey of 5-methyl-N-octylpyrimidin-2-amine?
The InChIKey is RKXNCHNLMLMIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-4-5-6-7-8-9-14-13-15-10-12(2)11-16-13/h10-11H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of 5-methyl-N-octylpyrimidin-2-amine?
5-methyl-N-octylpyrimidin-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-octylpyrimidin-2-amine is sourced from PubChem (CID 115568974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).