N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine

C14H18N4 — CID 55031927

IUPACN-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCc2cccc(CN)c2)nc(C)n1
InChIInChI=1S/C14H18N4/c1-10-6-14(18-11(2)17-10)16-9-13-5-3-4-12(7-13)8-15/h3-7H,8-9,15H2,1-2H3,(H,16,17,18)
InChIKeyDCHCGWHWQSJLNQ-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.16
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine

N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine (PubChem CID 55031927) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine
PubChem CID55031927
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine
SMILESCc1cc(NCc2cccc(CN)c2)nc(C)n1
InChIInChI=1S/C14H18N4/c1-10-6-14(18-11(2)17-10)16-9-13-5-3-4-12(7-13)8-15/h3-7H,8-9,15H2,1-2H3,(H,16,17,18)
InChIKeyDCHCGWHWQSJLNQ-UHFFFAOYSA-N
XLogP2.16
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine (CID 55031927) is N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine is Cc1cc(NCc2cccc(CN)c2)nc(C)n1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine?
The InChIKey is DCHCGWHWQSJLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-6-14(18-11(2)17-10)16-9-13-5-3-4-12(7-13)8-15/h3-7H,8-9,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine?
N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine has a molecular weight of 242.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 55031927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).