N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine

C14H18N4O2 — CID 115975528

IUPACN-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccc(OC)c(N)c2)n1
InChIInChI=1S/C14H18N4O2/c1-3-20-13-6-7-16-14(18-13)17-9-10-4-5-12(19-2)11(15)8-10/h4-8H,3,9,15H2,1-2H3,(H,16,17,18)
InChIKeyRAYYMKQSBJBXIQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.08
Rot. Bonds6

About N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine

N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine (PubChem CID 115975528) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine
PubChem CID115975528
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NCc2ccc(OC)c(N)c2)n1
InChIInChI=1S/C14H18N4O2/c1-3-20-13-6-7-16-14(18-13)17-9-10-4-5-12(19-2)11(15)8-10/h4-8H,3,9,15H2,1-2H3,(H,16,17,18)
InChIKeyRAYYMKQSBJBXIQ-UHFFFAOYSA-N
XLogP2.08
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.08
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

4-ethoxy-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112636470
4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112636517
4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875
N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327604
4-[[(4-ethoxypyrimidin-2-yl)amino]methyl]benzoic acid
CID 115974005
4-ethoxy-N-(1H-pyrazol-4-ylmethyl)pyrimidin-2-amine
CID 112636913
N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 62735303
N-[(3,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
CID 2446536
5-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pyridine-2-carboxylic acid
CID 115974214
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
4-ethoxy-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidin-2-amine
CID 112636949
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine (CID 115975528) is N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NCc2ccc(OC)c(N)c2)n1.
What is the InChIKey of N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine?
The InChIKey is RAYYMKQSBJBXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-3-20-13-6-7-16-14(18-13)17-9-10-4-5-12(19-2)11(15)8-10/h4-8H,3,9,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine?
N-[(3-amino-4-methoxyphenyl)methyl]-4-ethoxypyrimidin-2-amine has a molecular weight of 274.32 g/mol, XLogP of 2.08, 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]-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 115975528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).