5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine

C11H19N3O — CID 114600442

IUPAC5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine
SMILESCOc1cnc(NCCCC(C)C)nc1
InChIInChI=1S/C11H19N3O/c1-9(2)5-4-6-12-11-13-7-10(15-3)8-14-11/h7-9H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyKUXJQVFKBKNFSX-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.33
Rot. Bonds6

About 5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine

5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine (PubChem CID 114600442) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine
PubChem CID114600442
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine
SMILESCOc1cnc(NCCCC(C)C)nc1
InChIInChI=1S/C11H19N3O/c1-9(2)5-4-6-12-11-13-7-10(15-3)8-14-11/h7-9H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyKUXJQVFKBKNFSX-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.33
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-methoxy-N-(3-methylbutyl)pyrimidin-2-amine
CID 114600318
N-(5-methoxypyrimidin-2-yl)-N',N'-dimethylbutane-1,4-diamine
CID 114600534
5-chloro-N-(7-methyloctyl)pyrimidin-2-amine
CID 107816307
5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol
CID 107269196
1-[(5-methoxypyrimidin-2-yl)amino]-2,4-dimethylpentan-2-ol
CID 114600677
5-iodo-N-(3-methylbutyl)pyrimidin-2-amine
CID 115620521
5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol
CID 107269299
5-fluoro-N-(3-methylbutyl)pyrimidin-2-amine
CID 115749812
1-N-(5-methoxypyrimidin-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114600511
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylpentan-1-amine
CID 83155306
ethyl 3-[(5-methoxypyrimidin-2-yl)amino]propanoate
CID 114600536
N-methyl-N'-(5-propan-2-ylpyrimidin-2-yl)propane-1,3-diamine
CID 116974441

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine?
The IUPAC name of 5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine (CID 114600442) is 5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine.
What is the SMILES notation for 5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine?
The canonical SMILES for 5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine is COc1cnc(NCCCC(C)C)nc1.
What is the InChIKey of 5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine?
The InChIKey is KUXJQVFKBKNFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9(2)5-4-6-12-11-13-7-10(15-3)8-14-11/h7-9H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine?
5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine has a molecular weight of 209.29 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(4-methylpentyl)pyrimidin-2-amine is sourced from PubChem (CID 114600442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).