6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine

C13H23N3O2 — CID 113401616

IUPAC6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine
SMILESCCCCCCCOc1cc(N)nc(COC)n1
InChIInChI=1S/C13H23N3O2/c1-3-4-5-6-7-8-18-13-9-11(14)15-12(16-13)10-17-2/h9H,3-8,10H2,1-2H3,(H2,14,15,16)
InChIKeyIJMYOTJWENMAEV-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.55
Rot. Bonds9

About 6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine

6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 113401616) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID113401616
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine
SMILESCCCCCCCOc1cc(N)nc(COC)n1
InChIInChI=1S/C13H23N3O2/c1-3-4-5-6-7-8-18-13-9-11(14)15-12(16-13)10-17-2/h9H,3-8,10H2,1-2H3,(H2,14,15,16)
InChIKeyIJMYOTJWENMAEV-UHFFFAOYSA-N
XLogP2.55
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-hexoxy-2-propylpyrimidin-4-amine
CID 80949907
6-[3-(2-methoxyethoxy)propoxy]-2-(methoxymethyl)pyrimidin-4-amine
CID 103408444
6-[3-(2-methoxyethoxy)propoxy]-2-propylpyrimidin-4-amine
CID 103408442
6-hexoxy-4-(trifluoromethyl)pyridin-2-amine
CID 102719653
N-butyl-2-(methoxymethyl)-6-propoxypyrimidin-4-amine
CID 82456662
6-butoxy-4-chloropyridin-2-amine
CID 58278129
6-(2-cyclopropylethoxy)-2-(ethoxymethyl)pyrimidin-4-amine
CID 106207534
2-(methoxymethyl)-6-propoxy-N-propylpyrimidin-4-amine
CID 113401645
6-butoxy-4-N-hexyl-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458664
10-(6-amino-2-methoxypyrimidin-4-yl)oxydecan-1-ol
CID 11543921
4-heptoxy-6-hydrazinylpyrimidin-2-amine
CID 80909546
2-ethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
CID 112590912

Frequently Asked Questions

What is the IUPAC name of 6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine (CID 113401616) is 6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine is CCCCCCCOc1cc(N)nc(COC)n1.
What is the InChIKey of 6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is IJMYOTJWENMAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-4-5-6-7-8-18-13-9-11(14)15-12(16-13)10-17-2/h9H,3-8,10H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine?
6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 113401616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).