N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine

C14H18N4O — CID 66319450

IUPACN-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NCc2ccccc2CN)ncn1
InChIInChI=1S/C14H18N4O/c1-2-19-14-7-13(17-10-18-14)16-9-12-6-4-3-5-11(12)8-15/h3-7,10H,2,8-9,15H2,1H3,(H,16,17,18)
InChIKeyLIOZEZAGRVOXJE-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.95
Rot. Bonds6

About N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine

N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine (PubChem CID 66319450) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine
PubChem CID66319450
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine
SMILESCCOc1cc(NCc2ccccc2CN)ncn1
InChIInChI=1S/C14H18N4O/c1-2-19-14-7-13(17-10-18-14)16-9-12-6-4-3-5-11(12)8-15/h3-7,10H,2,8-9,15H2,1H3,(H,16,17,18)
InChIKeyLIOZEZAGRVOXJE-UHFFFAOYSA-N
XLogP1.95
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-(pyrimidin-4-ylmethyl)pyrimidin-4-amine
CID 114111488
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
6-ethoxy-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrimidin-4-amine
CID 133464678
6-propoxy-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66327754
6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
CID 66328382
N-[[2-(difluoromethoxy)-5-methylphenyl]methyl]-6-ethoxypyrimidin-4-amine
CID 133491052
6-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 66327990
N-[(2-methoxyphenyl)methyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66327152
N-[[2-(aminomethyl)phenyl]methyl]-5-methyl-4-nitropyridin-2-amine
CID 83271433
6-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 66328025
1-N-(6-ethoxypyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 66319691
N-[(2-ethylphenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 64695520

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine (CID 66319450) is N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine is CCOc1cc(NCc2ccccc2CN)ncn1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine?
The InChIKey is LIOZEZAGRVOXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-19-14-7-13(17-10-18-14)16-9-12-6-4-3-5-11(12)8-15/h3-7,10H,2,8-9,15H2,1H3,(H,16,17,18).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine?
N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-6-ethoxypyrimidin-4-amine is sourced from PubChem (CID 66319450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).