2-methyl-N-(7-methyloctyl)pyrimidin-4-amine

C14H25N3 — CID 107816212

IUPAC2-methyl-N-(7-methyloctyl)pyrimidin-4-amine
SMILESCc1nccc(NCCCCCCC(C)C)n1
InChIInChI=1S/C14H25N3/c1-12(2)8-6-4-5-7-10-16-14-9-11-15-13(3)17-14/h9,11-12H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyYENCYVNDSKMUOG-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.80
Rot. Bonds8

About 2-methyl-N-(7-methyloctyl)pyrimidin-4-amine

2-methyl-N-(7-methyloctyl)pyrimidin-4-amine (PubChem CID 107816212) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-methyl-N-(7-methyloctyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(7-methyloctyl)pyrimidin-4-amine
PubChem CID107816212
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-methyl-N-(7-methyloctyl)pyrimidin-4-amine
SMILESCc1nccc(NCCCCCCC(C)C)n1
InChIInChI=1S/C14H25N3/c1-12(2)8-6-4-5-7-10-16-14-9-11-15-13(3)17-14/h9,11-12H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyYENCYVNDSKMUOG-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.80
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

N-butyl-2-methylpyrimidin-4-amine
CID 62785690
1-N-(2-methylpyrimidin-4-yl)butane-1,3-diamine
CID 63251627
6-methyl-N-(7-methyloctyl)pyridin-2-amine
CID 107816090
7-methyl-N-[(2-methylpyrimidin-4-yl)methyl]octan-1-amine
CID 62747506
N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine
CID 130700379
6-N-ethyl-2-methyl-4-N-(7-methyloctyl)pyrimidine-4,6-diamine
CID 107818952
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
N-(2-fluoroethyl)-2-methylpyrimidin-4-amine
CID 130478085
6-chloro-N-(7-methyloctyl)pyridin-2-amine
CID 107817529
6-N-(7-methyloctyl)pyridine-2,6-diamine
CID 114004472
3-methyl-4-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 66108604
6-methyl-2-N-(5-methylhexyl)pyridine-2,5-diamine
CID 115324773

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(7-methyloctyl)pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-(7-methyloctyl)pyrimidin-4-amine (CID 107816212) is 2-methyl-N-(7-methyloctyl)pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-(7-methyloctyl)pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-(7-methyloctyl)pyrimidin-4-amine is Cc1nccc(NCCCCCCC(C)C)n1.
What is the InChIKey of 2-methyl-N-(7-methyloctyl)pyrimidin-4-amine?
The InChIKey is YENCYVNDSKMUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)8-6-4-5-7-10-16-14-9-11-15-13(3)17-14/h9,11-12H,4-8,10H2,1-3H3,(H,15,16,17).
What are the key properties of 2-methyl-N-(7-methyloctyl)pyrimidin-4-amine?
2-methyl-N-(7-methyloctyl)pyrimidin-4-amine has a molecular weight of 235.37 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(7-methyloctyl)pyrimidin-4-amine is sourced from PubChem (CID 107816212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).