N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine

C14H18N4O — CID 112638883

IUPACN-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCc2ccccc2N)n1
InChIInChI=1S/C14H18N4O/c1-2-9-19-13-7-8-16-14(18-13)17-10-11-5-3-4-6-12(11)15/h3-8H,2,9-10,15H2,1H3,(H,16,17,18)
InChIKeyNHOHXMUWFJMHBP-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.46
Rot. Bonds6

About N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine

N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine (PubChem CID 112638883) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine
PubChem CID112638883
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCc2ccccc2N)n1
InChIInChI=1S/C14H18N4O/c1-2-9-19-13-7-8-16-14(18-13)17-10-11-5-3-4-6-12(11)15/h3-8H,2,9-10,15H2,1H3,(H,16,17,18)
InChIKeyNHOHXMUWFJMHBP-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
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

3-methyl-1-N-(4-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 112638691
N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 106013343
N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine
CID 106191641
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 115974989
4-[[(4-propoxypyrimidin-2-yl)amino]methyl]benzonitrile
CID 115974523
4-propoxypyrimidin-2-amine
CID 79002172
N-(2,2-dimethylheptyl)-4-propoxypyrimidin-2-amine
CID 115975266
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-propoxypyrimidin-2-amine
CID 115974477
2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80860272
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine
CID 103970456
N-[2-(4-aminocyclohexyl)oxyethyl]-4-propoxypyrimidin-2-amine
CID 115975400

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine (CID 112638883) is N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NCc2ccccc2N)n1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine?
The InChIKey is NHOHXMUWFJMHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-9-19-13-7-8-16-14(18-13)17-10-11-5-3-4-6-12(11)15/h3-8H,2,9-10,15H2,1H3,(H,16,17,18).
What are the key properties of N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine?
N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 112638883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).