4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine

C14H17N3O — CID 112636504

IUPAC4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-2-18-13-9-11-16-14(17-13)15-10-8-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,15,16,17)
InChIKeyFIHLCQXTFCIQJQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.53
Rot. Bonds6

About 4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine

4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine (PubChem CID 112636504) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
PubChem CID112636504
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NCCc2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-2-18-13-9-11-16-14(17-13)15-10-8-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,15,16,17)
InChIKeyFIHLCQXTFCIQJQ-UHFFFAOYSA-N
XLogP2.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
4-ethoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
CID 106418608
4-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637048
4-ethoxy-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-2-amine
CID 112637712
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
N'-(4-ethoxypyrimidin-2-yl)-N-ethylpropane-1,3-diamine
CID 112638517
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975
4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
CID 112637344
6-ethoxy-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66326268
2-N-(2-phenylethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882002
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine (CID 112636504) is 4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine is CCOc1ccnc(NCCc2ccccc2)n1.
What is the InChIKey of 4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine?
The InChIKey is FIHLCQXTFCIQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-18-13-9-11-16-14(17-13)15-10-8-12-6-4-3-5-7-12/h3-7,9,11H,2,8,10H2,1H3,(H,15,16,17).
What are the key properties of 4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine?
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine has a molecular weight of 243.31 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112636504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).