N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine

C15H19N3O2 — CID 80863011

IUPACN,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
SMILESCCCOc1ccccc1Oc1cc(NC)nc(C)n1
InChIInChI=1S/C15H19N3O2/c1-4-9-19-12-7-5-6-8-13(12)20-15-10-14(16-3)17-11(2)18-15/h5-8,10H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyKKZVVQYJSPUCBL-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.41
Rot. Bonds6

About N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine

N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine (PubChem CID 80863011) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
PubChem CID80863011
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine
SMILESCCCOc1ccccc1Oc1cc(NC)nc(C)n1
InChIInChI=1S/C15H19N3O2/c1-4-9-19-12-7-5-6-8-13(12)20-15-10-14(16-3)17-11(2)18-15/h5-8,10H,4,9H2,1-3H3,(H,16,17,18)
InChIKeyKKZVVQYJSPUCBL-UHFFFAOYSA-N
XLogP3.41
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80874565
6-(2-butan-2-ylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80881121
6-(1-bromonaphthalen-2-yl)oxy-N,2-dimethylpyrimidin-4-amine
CID 80866646
N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875231
2-methyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80869254
6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80864444
6-(2,4-dibromophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80877840
1-[2-(6-ethoxy-2-methylpyrimidin-4-yl)oxyphenyl]-N-methylmethanamine
CID 106485522
6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80942785
N-methyl-1-[6-(2-propoxyphenoxy)pyridazin-3-yl]methanamine
CID 62296888
5-methyl-2-(2-propoxyphenoxy)pyridin-4-amine
CID 83266265
2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine (CID 80863011) is N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine is CCCOc1ccccc1Oc1cc(NC)nc(C)n1.
What is the InChIKey of N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine?
The InChIKey is KKZVVQYJSPUCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-9-19-12-7-5-6-8-13(12)20-15-10-14(16-3)17-11(2)18-15/h5-8,10H,4,9H2,1-3H3,(H,16,17,18).
What are the key properties of N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine?
N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-(2-propoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80863011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).