4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine

C15H19N3O2 — CID 115974506

IUPAC4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCc2cccc(OC)c2)n1
InChIInChI=1S/C15H19N3O2/c1-4-20-14-8-11(2)17-15(18-14)16-10-12-6-5-7-13(9-12)19-3/h5-9H,4,10H2,1-3H3,(H,16,17,18)
InChIKeyKKGKUSWEBFKDLJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.80
Rot. Bonds6

About 4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine

4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine (PubChem CID 115974506) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
PubChem CID115974506
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCc2cccc(OC)c2)n1
InChIInChI=1S/C15H19N3O2/c1-4-20-14-8-11(2)17-15(18-14)16-10-12-6-5-7-13(9-12)19-3/h5-9H,4,10H2,1-3H3,(H,16,17,18)
InChIKeyKKGKUSWEBFKDLJ-UHFFFAOYSA-N
XLogP2.80
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine
CID 112690994
4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine
CID 115974514
N-ethyl-4-(3-methoxyphenoxy)-6-methylpyrimidin-2-amine
CID 80864633
2-N-[(3-methoxyphenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 166178490
4-ethoxy-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636547
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
6-ethoxy-2-N-[(3-methoxyphenyl)methyl]pyridine-2,5-diamine
CID 61028652
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 115633925
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
6-chloro-2-N-[(3-methoxyphenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80798291
6-ethoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 107851217
ethyl 2-[(3-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 20855185

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine (CID 115974506) is 4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine is CCOc1cc(C)nc(NCc2cccc(OC)c2)n1.
What is the InChIKey of 4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine?
The InChIKey is KKGKUSWEBFKDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-20-14-8-11(2)17-15(18-14)16-10-12-6-5-7-13(9-12)19-3/h5-9H,4,10H2,1-3H3,(H,16,17,18).
What are the key properties of 4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine?
4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(3-methoxyphenyl)methyl]-6-methylpyrimidin-2-amine is sourced from PubChem (CID 115974506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).