2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine

C14H17N3O — CID 95456172

IUPAC2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine
SMILESCCOc1ccccc1CCc1ncc(N)cn1
InChIInChI=1S/C14H17N3O/c1-2-18-13-6-4-3-5-11(13)7-8-14-16-9-12(15)10-17-14/h3-6,9-10H,2,7-8,15H2,1H3
InChIKeyYSNJCQSNMQAICP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.24
Rot. Bonds5

About 2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine

2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine (PubChem CID 95456172) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine
PubChem CID95456172
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine
SMILESCCOc1ccccc1CCc1ncc(N)cn1
InChIInChI=1S/C14H17N3O/c1-2-18-13-6-4-3-5-11(13)7-8-14-16-9-12(15)10-17-14/h3-6,9-10H,2,7-8,15H2,1H3
InChIKeyYSNJCQSNMQAICP-UHFFFAOYSA-N
XLogP2.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
1-(3-chlorobutyl)-2-ethoxybenzene
CID 64514219
1-decyl-2-ethoxybenzene
CID 175243335
1-(3-bromopropyl)-2-ethoxybenzene
CID 18786539
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
3-(2-ethoxyphenyl)propanenitrile
CID 53434291
(2-amino-2-oxoethyl) 3-(2-ethoxyphenyl)propanoate
CID 7523952
5-[(2-ethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10562267
2-[2-(2-ethoxyphenyl)ethyl]-4,5-dimethyl-1,3-oxazole
CID 54428781
1-(2-azidoethyl)-2-ethoxybenzene
CID 150018068
2-(2-ethoxyphenyl)ethyl propanoate
CID 174910782
1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene
CID 64508912

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine?
The IUPAC name of 2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine (CID 95456172) is 2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine.
What is the SMILES notation for 2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine?
The canonical SMILES for 2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine is CCOc1ccccc1CCc1ncc(N)cn1.
What is the InChIKey of 2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine?
The InChIKey is YSNJCQSNMQAICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-18-13-6-4-3-5-11(13)7-8-14-16-9-12(15)10-17-14/h3-6,9-10H,2,7-8,15H2,1H3.
What are the key properties of 2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine?
2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine has a molecular weight of 243.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-amine is sourced from PubChem (CID 95456172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).