N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine

C13H16N4O — CID 66332146

IUPACN-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1ncnc(NCc2cccc(N)c2)c1C
InChIInChI=1S/C13H16N4O/c1-9-12(16-8-17-13(9)18-2)15-7-10-4-3-5-11(14)6-10/h3-6,8H,7,14H2,1-2H3,(H,15,16,17)
InChIKeyKMUMUPKBUXRVPG-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.99
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine

N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine (PubChem CID 66332146) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
PubChem CID66332146
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
SMILESCOc1ncnc(NCc2cccc(N)c2)c1C
InChIInChI=1S/C13H16N4O/c1-9-12(16-8-17-13(9)18-2)15-7-10-4-3-5-11(14)6-10/h3-6,8H,7,14H2,1-2H3,(H,15,16,17)
InChIKeyKMUMUPKBUXRVPG-UHFFFAOYSA-N
XLogP1.99
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-amino-2-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66332143
6-methoxy-5-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66327251
6-methoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325637
N-[(3-amino-4-methoxyphenyl)methyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66327604
6-methoxy-5-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66327861
N-[3-(chloromethyl)phenyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66324701
6-methoxy-5-methyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66324994
N-[(2-chloro-6-methoxyphenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 103292944
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 66325204
N-[(3-aminophenyl)methyl]-4-methoxy-2,3-dimethylaniline
CID 115211786
6-methoxy-5-methyl-N-(1H-pyrazol-5-ylmethyl)pyrimidin-4-amine
CID 66327266
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine (CID 66332146) is N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine is COc1ncnc(NCc2cccc(N)c2)c1C.
What is the InChIKey of N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
The InChIKey is KMUMUPKBUXRVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-12(16-8-17-13(9)18-2)15-7-10-4-3-5-11(14)6-10/h3-6,8H,7,14H2,1-2H3,(H,15,16,17).
What are the key properties of N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine?
N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine has a molecular weight of 244.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-6-methoxy-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66332146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).