N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine

C14H17N3O2 — CID 133285444

IUPACN-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine
SMILESCCOCc1cccc(Nc2nccc(OC)n2)c1
InChIInChI=1S/C14H17N3O2/c1-3-19-10-11-5-4-6-12(9-11)16-14-15-8-7-13(17-14)18-2/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyXPKIELZJDHAAFX-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.77
Rot. Bonds6

About N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine

N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine (PubChem CID 133285444) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine
PubChem CID133285444
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine
SMILESCCOCc1cccc(Nc2nccc(OC)n2)c1
InChIInChI=1S/C14H17N3O2/c1-3-19-10-11-5-4-6-12(9-11)16-14-15-8-7-13(17-14)18-2/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyXPKIELZJDHAAFX-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]pyrimidin-2-amine
CID 133347689
3-N-(4-methoxypyrimidin-2-yl)-1-N-phenylbenzene-1,3-diamine
CID 75413994
N-(4-methoxypyrimidin-2-yl)-2,3-dimethylquinoxalin-6-amine
CID 170512498
4-N-(4-methoxypyrimidin-2-yl)benzene-1,4-diamine
CID 63214957
6-(2,6-dichlorophenyl)-2-[3-(ethoxymethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 142857829
N-[3-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-2-methylpropanamide
CID 31663783
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
4-methoxy-N-[3-methyl-5-(6-pentan-3-yl-2-pyridinyl)phenyl]pyrimidin-2-amine
CID 135221220
N-(2-methoxy-4-pyridinyl)-4-methylpyrimidin-2-amine
CID 66596222
N-[4-(chloromethyl)phenyl]-4-ethoxypyrimidin-2-amine
CID 112639276
4-[(4-methoxypyrimidin-2-yl)amino]benzoic acid
CID 43378936
[3-[[4-(3-methoxyphenyl)sulfanylpyrimidin-2-yl]amino]phenyl]methanol;hydrochloride
CID 18794206

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine (CID 133285444) is N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine is CCOCc1cccc(Nc2nccc(OC)n2)c1.
What is the InChIKey of N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine?
The InChIKey is XPKIELZJDHAAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-19-10-11-5-4-6-12(9-11)16-14-15-8-7-13(17-14)18-2/h4-9H,3,10H2,1-2H3,(H,15,16,17).
What are the key properties of N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine?
N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethoxymethyl)phenyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 133285444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).