N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine

C14H17N3O2 — CID 80881018

IUPACN-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
SMILESCCCOc1ccc(Oc2cc(NC)ncn2)cc1
InChIInChI=1S/C14H17N3O2/c1-3-8-18-11-4-6-12(7-5-11)19-14-9-13(15-2)16-10-17-14/h4-7,9-10H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyOIFHNOIYNIGACV-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.10
Rot. Bonds6

About N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine

N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine (PubChem CID 80881018) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
PubChem CID80881018
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
SMILESCCCOc1ccc(Oc2cc(NC)ncn2)cc1
InChIInChI=1S/C14H17N3O2/c1-3-8-18-11-4-6-12(7-5-11)19-14-9-13(15-2)16-10-17-14/h4-7,9-10H,3,8H2,1-2H3,(H,15,16,17)
InChIKeyOIFHNOIYNIGACV-UHFFFAOYSA-N
XLogP3.10
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenoxy)-N-methylpyrimidin-4-amine
CID 80864046
[4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80871140
N-methyl-6-(4-methylsulfonylphenoxy)pyrimidin-4-amine
CID 80875896
6-heptoxy-N-methylpyrimidin-4-amine
CID 80861487
N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80870346
6-(3-bromo-4-fluorophenoxy)-N-methylpyrimidin-4-amine
CID 83236952
[4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine
CID 106485714
N-(2-phenoxyethyl)-6-propoxypyrimidin-4-amine
CID 66329980
N-propyl-6-[4-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80866351
6-(4-methylsulfonylphenoxy)-N-propylpyrimidin-4-amine
CID 80874772
[2-(4-propoxyphenoxy)-4-pyridinyl]methanamine
CID 28971099
[6-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80915358

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine (CID 80881018) is N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine is CCCOc1ccc(Oc2cc(NC)ncn2)cc1.
What is the InChIKey of N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
The InChIKey is OIFHNOIYNIGACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-8-18-11-4-6-12(7-5-11)19-14-9-13(15-2)16-10-17-14/h4-7,9-10H,3,8H2,1-2H3,(H,15,16,17).
What are the key properties of N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(4-propoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80881018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).