(2-heptoxy-4-methylpyrimidin-5-yl)methanamine

C13H23N3O — CID 83188895

IUPAC(2-heptoxy-4-methylpyrimidin-5-yl)methanamine
SMILESCCCCCCCOc1ncc(CN)c(C)n1
InChIInChI=1S/C13H23N3O/c1-3-4-5-6-7-8-17-13-15-10-12(9-14)11(2)16-13/h10H,3-9,14H2,1-2H3
InChIKeyGZTQGOJHLKKQGX-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.59
Rot. Bonds8

About (2-heptoxy-4-methylpyrimidin-5-yl)methanamine

(2-heptoxy-4-methylpyrimidin-5-yl)methanamine (PubChem CID 83188895) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (2-heptoxy-4-methylpyrimidin-5-yl)methanamine.

Molecular Properties

Compound Name(2-heptoxy-4-methylpyrimidin-5-yl)methanamine
PubChem CID83188895
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(2-heptoxy-4-methylpyrimidin-5-yl)methanamine
SMILESCCCCCCCOc1ncc(CN)c(C)n1
InChIInChI=1S/C13H23N3O/c1-3-4-5-6-7-8-17-13-15-10-12(9-14)11(2)16-13/h10H,3-9,14H2,1-2H3
InChIKeyGZTQGOJHLKKQGX-UHFFFAOYSA-N
XLogP2.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-4-methyl-2-octoxypyrimidine
CID 83184945
N-[(2-heptoxy-4-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 83188821
N-[(4-methyl-2-pentoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83189667
N-[2-[5-(aminomethyl)-4-methylpyrimidin-2-yl]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 83196452
[4-methyl-2-(4-propoxyphenoxy)pyrimidin-5-yl]methanamine
CID 83188697
2-octoxypyrimidin-5-amine
CID 61145971
[2-(cyclopentylmethoxy)-4-methylpyrimidin-5-yl]methanamine
CID 83189535
[2-[(2-bromophenyl)methoxy]-4-methylpyrimidin-5-yl]methanamine
CID 83195620
N-[(4-methyl-2-propoxypyrimidin-5-yl)methyl]propan-1-amine
CID 83188978
N-[[2-(3-methoxypropoxy)-4-methylpyrimidin-5-yl]methyl]propan-1-amine
CID 83189344
[2-(3,4-dimethylcyclohexyl)oxy-4-methylpyrimidin-5-yl]methanamine
CID 83189230
5-heptyl-2-hexoxypyrimidine
CID 102401723

Frequently Asked Questions

What is the IUPAC name of (2-heptoxy-4-methylpyrimidin-5-yl)methanamine?
The IUPAC name of (2-heptoxy-4-methylpyrimidin-5-yl)methanamine (CID 83188895) is (2-heptoxy-4-methylpyrimidin-5-yl)methanamine.
What is the SMILES notation for (2-heptoxy-4-methylpyrimidin-5-yl)methanamine?
The canonical SMILES for (2-heptoxy-4-methylpyrimidin-5-yl)methanamine is CCCCCCCOc1ncc(CN)c(C)n1.
What is the InChIKey of (2-heptoxy-4-methylpyrimidin-5-yl)methanamine?
The InChIKey is GZTQGOJHLKKQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-4-5-6-7-8-17-13-15-10-12(9-14)11(2)16-13/h10H,3-9,14H2,1-2H3.
What are the key properties of (2-heptoxy-4-methylpyrimidin-5-yl)methanamine?
(2-heptoxy-4-methylpyrimidin-5-yl)methanamine has a molecular weight of 237.35 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptoxy-4-methylpyrimidin-5-yl)methanamine is sourced from PubChem (CID 83188895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).