6-heptoxy-N-methylpyrimidin-4-amine

C12H21N3O — CID 80861487

IUPAC6-heptoxy-N-methylpyrimidin-4-amine
SMILESCCCCCCCOc1cc(NC)ncn1
InChIInChI=1S/C12H21N3O/c1-3-4-5-6-7-8-16-12-9-11(13-2)14-10-15-12/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyPIYCWLCGURDMTR-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.87
Rot. Bonds8

About 6-heptoxy-N-methylpyrimidin-4-amine

6-heptoxy-N-methylpyrimidin-4-amine (PubChem CID 80861487) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-heptoxy-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-heptoxy-N-methylpyrimidin-4-amine
PubChem CID80861487
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name6-heptoxy-N-methylpyrimidin-4-amine
SMILESCCCCCCCOc1cc(NC)ncn1
InChIInChI=1S/C12H21N3O/c1-3-4-5-6-7-8-16-12-9-11(13-2)14-10-15-12/h9-10H,3-8H2,1-2H3,(H,13,14,15)
InChIKeyPIYCWLCGURDMTR-UHFFFAOYSA-N
XLogP2.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.87
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

6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine
CID 106669190
6-butoxy-N-cyclohexylpyrimidin-4-amine
CID 82453632
N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
CID 80881018
6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453611
N-methyl-6-pentan-2-yloxypyrimidin-4-amine
CID 102989417
N',N'-dimethyl-N-(6-propoxypyrimidin-4-yl)butane-1,4-diamine
CID 66328807
6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453620
N-methyl-6-pentoxy-2-phenylpyrimidin-4-amine
CID 115915871
N-(5-methylhexyl)-6-propoxypyrimidin-4-amine
CID 115326257
1-N,1-N-dimethyl-3-N-(6-propoxypyrimidin-4-yl)butane-1,3-diamine
CID 66328407
N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine
CID 107816415
4-hexoxy-N,6-dimethylpyrimidin-2-amine
CID 80862000

Frequently Asked Questions

What is the IUPAC name of 6-heptoxy-N-methylpyrimidin-4-amine?
The IUPAC name of 6-heptoxy-N-methylpyrimidin-4-amine (CID 80861487) is 6-heptoxy-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-heptoxy-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-heptoxy-N-methylpyrimidin-4-amine is CCCCCCCOc1cc(NC)ncn1.
What is the InChIKey of 6-heptoxy-N-methylpyrimidin-4-amine?
The InChIKey is PIYCWLCGURDMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-4-5-6-7-8-16-12-9-11(13-2)14-10-15-12/h9-10H,3-8H2,1-2H3,(H,13,14,15).
What are the key properties of 6-heptoxy-N-methylpyrimidin-4-amine?
6-heptoxy-N-methylpyrimidin-4-amine has a molecular weight of 223.32 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptoxy-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80861487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).