N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine

C15H20N4O2 — CID 66327604

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ccc(OC)c(N)c2)c1C
InChIInChI=1S/C15H20N4O2/c1-4-21-15-10(2)14(18-9-19-15)17-8-11-5-6-13(20-3)12(16)7-11/h5-7,9H,4,8,16H2,1-3H3,(H,17,18,19)
InChIKeyWBXGIYKADRGFMN-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.39
Rot. Bonds6

About N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine

N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine (PubChem CID 66327604) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
PubChem CID66327604
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
SMILESCCOc1ncnc(NCc2ccc(OC)c(N)c2)c1C
InChIInChI=1S/C15H20N4O2/c1-4-21-15-10(2)14(18-9-19-15)17-8-11-5-6-13(20-3)12(16)7-11/h5-7,9H,4,8,16H2,1-3H3,(H,17,18,19)
InChIKeyWBXGIYKADRGFMN-UHFFFAOYSA-N
XLogP2.39
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326004
4-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]phenol
CID 114332523
6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325638
N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66332146
N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66332143
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 66325204
6-ethoxy-5-methyl-N-(thiophen-3-ylmethyl)pyrimidin-4-amine
CID 66327283
N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine
CID 115975528
6-ethoxy-5-methyl-N-(1H-pyrazol-4-ylmethyl)pyrimidin-4-amine
CID 66327056
N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 62735303
6-ethoxy-N-(furan-2-ylmethyl)-5-methylpyrimidin-4-amine
CID 66326618
6-methoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325637

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine (CID 66327604) is N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine is CCOc1ncnc(NCc2ccc(OC)c(N)c2)c1C.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine?
The InChIKey is WBXGIYKADRGFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-21-15-10(2)14(18-9-19-15)17-8-11-5-6-13(20-3)12(16)7-11/h5-7,9H,4,8,16H2,1-3H3,(H,17,18,19).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine?
N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine has a molecular weight of 288.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66327604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).