4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine

C14H17N3O — CID 80860603

IUPAC4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine
SMILESCCc1cccc(Oc2nc(NC)ncc2C)c1
InChIInChI=1S/C14H17N3O/c1-4-11-6-5-7-12(8-11)18-13-10(2)9-16-14(15-3)17-13/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyCEQFDPKSVRJMPT-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.18
Rot. Bonds4

About 4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine

4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine (PubChem CID 80860603) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine
PubChem CID80860603
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine
SMILESCCc1cccc(Oc2nc(NC)ncc2C)c1
InChIInChI=1S/C14H17N3O/c1-4-11-6-5-7-12(8-11)18-13-10(2)9-16-14(15-3)17-13/h5-9H,4H2,1-3H3,(H,15,16,17)
InChIKeyCEQFDPKSVRJMPT-UHFFFAOYSA-N
XLogP3.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-dimethyl-4-(3-propan-2-ylphenoxy)pyrimidin-2-amine
CID 80864328
N-ethyl-4-[3-(methoxymethyl)phenoxy]-5-methylpyrimidin-2-amine
CID 80876421
[5-chloro-4-(3-ethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80913199
4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80871267
N,5-dimethyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388464
4-(3-tert-butylphenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80874250
5-methyl-4-(3-propan-2-ylphenoxy)-N-propylpyrimidin-2-amine
CID 80865695
5-methyl-4-[3-(3-methylbut-2-enoxymethyl)phenoxy]-N-phenylpyrimidin-2-amine
CID 139565519
3-bromo-2-(3-ethylphenoxy)-4-methylpyridine
CID 106877847
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80920463
1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62297750
N-[[2-(3-ethylphenoxy)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62296699

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine (CID 80860603) is 4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine is CCc1cccc(Oc2nc(NC)ncc2C)c1.
What is the InChIKey of 4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine?
The InChIKey is CEQFDPKSVRJMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-11-6-5-7-12(8-11)18-13-10(2)9-16-14(15-3)17-13/h5-9H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine?
4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylphenoxy)-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80860603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).