N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine

C16H21N3O2 — CID 80874986

IUPACN,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
SMILESCCCOc1ccc(Oc2nc(C)nc(NC)c2C)cc1
InChIInChI=1S/C16H21N3O2/c1-5-10-20-13-6-8-14(9-7-13)21-16-11(2)15(17-4)18-12(3)19-16/h6-9H,5,10H2,1-4H3,(H,17,18,19)
InChIKeyIBKGEQKDAJAYSZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.72
Rot. Bonds6

About N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine

N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine (PubChem CID 80874986) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
PubChem CID80874986
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine
SMILESCCCOc1ccc(Oc2nc(C)nc(NC)c2C)cc1
InChIInChI=1S/C16H21N3O2/c1-5-10-20-13-6-8-14(9-7-13)21-16-11(2)15(17-4)18-12(3)19-16/h6-9H,5,10H2,1-4H3,(H,17,18,19)
InChIKeyIBKGEQKDAJAYSZ-UHFFFAOYSA-N
XLogP3.72
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]oxyphenyl]methanol
CID 80870849
6-(3,5-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80864394
N-ethyl-2,5-dimethyl-6-(4-propylphenoxy)pyrimidin-4-amine
CID 80880293
N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 62495779
2,5-dimethyl-6-phenoxy-N-propylpyrimidin-4-amine
CID 80870307
6-(4-ethylphenoxy)-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80989080
4-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]oxybenzonitrile
CID 80869908
6-(2-methoxyethoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80859844
4-N-(4-ethoxyphenyl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80769010
N,2,5-trimethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 80874515
2,5-dimethyl-4-N-(4-propoxyphenyl)pyrimidine-4,6-diamine
CID 80825854
6-(2,3-difluorophenoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80880527

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
The IUPAC name of N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine (CID 80874986) is N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine.
What is the SMILES notation for N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
The canonical SMILES for N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine is CCCOc1ccc(Oc2nc(C)nc(NC)c2C)cc1.
What is the InChIKey of N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
The InChIKey is IBKGEQKDAJAYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-10-20-13-6-8-14(9-7-13)21-16-11(2)15(17-4)18-12(3)19-16/h6-9H,5,10H2,1-4H3,(H,17,18,19).
What are the key properties of N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine?
N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-6-(4-propoxyphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80874986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).