N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine

C14H18N4O — CID 80507401

IUPACN'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine
SMILESCOc1ccnc(NCCC(N)c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-19-13-8-10-17-14(18-13)16-9-7-12(15)11-5-3-2-4-6-11/h2-6,8,10,12H,7,9,15H2,1H3,(H,16,17,18)
InChIKeyCLPLEXXDCNWUFB-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.99
Rot. Bonds6

About N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine

N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine (PubChem CID 80507401) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine
PubChem CID80507401
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine
SMILESCOc1ccnc(NCCC(N)c2ccccc2)n1
InChIInChI=1S/C14H18N4O/c1-19-13-8-10-17-14(18-13)16-9-7-12(15)11-5-3-2-4-6-11/h2-6,8,10,12H,7,9,15H2,1H3,(H,16,17,18)
InChIKeyCLPLEXXDCNWUFB-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(furan-2-yl)-3-phenylpropyl]-4-methoxypyrimidin-2-amine
CID 131951741
1-phenyl-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 80506681
1-[(4-methoxypyrimidin-2-yl)amino]pentan-3-ol
CID 115702045
N-(4-methoxypyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 62664484
2-[(4-methoxypyrimidin-2-yl)amino]-2-phenylethanol
CID 112689970
N'-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
CID 115355310
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
1-(4-methoxyphenyl)-N'-(4-methoxypyrimidin-2-yl)-N,N-dimethylethane-1,2-diamine
CID 47012924
5-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentan-1-ol
CID 103858568
N-but-3-ynyl-4-methoxypyrimidin-2-amine
CID 112690842
3-amino-4-[(4-methoxypyrimidin-2-yl)amino]butan-2-ol
CID 64541292
N-(4-methoxypyrimidin-2-yl)-2-methylbutane-1,4-diamine
CID 66089762

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine?
The IUPAC name of N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine (CID 80507401) is N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine is COc1ccnc(NCCC(N)c2ccccc2)n1.
What is the InChIKey of N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine?
The InChIKey is CLPLEXXDCNWUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-19-13-8-10-17-14(18-13)16-9-7-12(15)11-5-3-2-4-6-11/h2-6,8,10,12H,7,9,15H2,1H3,(H,16,17,18).
What are the key properties of N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine?
N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine has a molecular weight of 258.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxypyrimidin-2-yl)-1-phenylpropane-1,3-diamine is sourced from PubChem (CID 80507401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).