4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine

C14H17N3O2 — CID 112636470

IUPAC4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C14H17N3O2/c1-3-19-13-8-9-15-14(17-13)16-10-11-4-6-12(18-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyQUOSNZFQCDEPBV-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.50
Rot. Bonds6

About 4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine

4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine (PubChem CID 112636470) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
PubChem CID112636470
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C14H17N3O2/c1-3-19-13-8-9-15-14(17-13)16-10-11-4-6-12(18-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,15,16,17)
InChIKeyQUOSNZFQCDEPBV-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112636517
4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875
4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]benzoic acid
CID 115974005
N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine
CID 115975528
4-[(4-methoxyphenyl)methoxy]-N-propylpyrimidin-2-amine
CID 80866869
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 112636913
4-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]pyrimidin-2-amine
CID 114137291
2-N-[(4-methoxyphenyl)methyl]-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890248
5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 115974214
4-N-(2-ethoxyphenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892594
2-N-butyl-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112883016
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine (CID 112636470) is 4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine is CCOc1ccnc(NCc2ccc(OC)cc2)n1.
What is the InChIKey of 4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
The InChIKey is QUOSNZFQCDEPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-19-13-8-9-15-14(17-13)16-10-11-4-6-12(18-2)7-5-11/h4-9H,3,10H2,1-2H3,(H,15,16,17).
What are the key properties of 4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine?
4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine has a molecular weight of 259.31 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 112636470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).