N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine

C14H18N4O — CID 61251851

IUPACN'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)c1ccncn1
InChIInChI=1S/C14H18N4O/c1-19-13-6-3-2-5-12(13)18(10-4-8-15)14-7-9-16-11-17-14/h2-3,5-7,9,11H,4,8,10,15H2,1H3
InChIKeyVPAGTDVTXSRDIO-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.97
Rot. Bonds6

About N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine

N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine (PubChem CID 61251851) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
PubChem CID61251851
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)c1ccncn1
InChIInChI=1S/C14H18N4O/c1-19-13-6-3-2-5-12(13)18(10-4-8-15)14-7-9-16-11-17-14/h2-3,5-7,9,11H,4,8,10,15H2,1H3
InChIKeyVPAGTDVTXSRDIO-UHFFFAOYSA-N
XLogP1.97
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Lexibulin
CID 11351021
N-(4-Methoxyphenyl)-N'-(2-pyridinyl)thiourea
CID 686300
2-[4-(4-Methoxyphenyl)-1-piperazinyl]pyrimidine
CID 198995
4-(Pyrimidin-2-yloxy)aniline
CID 1484610
N~2~-(4-Methoxyphenyl)pyridine-2,3-diamine
CID 11447232
5-fluoro-N,N'-bis(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 802942
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
Bisanilinopyrimidine, 6f
CID 70702137
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-cyclohexyl)-pyrimidin-2-yl-amine
CID 11795011
2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005987
1-[6-[2-(dimethylamino)ethylamino]pyrimidin-4-yl]-3-N-(2-methoxyphenyl)-1,2,4-triazole-3,5-diamine
CID 56595693
5-chloro-2-N-(4-dimethylphosphoryl-2-methoxyphenyl)-4-N-(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 68165412

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine?
The IUPAC name of N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine (CID 61251851) is N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine is COc1ccccc1N(CCCN)c1ccncn1.
What is the InChIKey of N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine?
The InChIKey is VPAGTDVTXSRDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-19-13-6-3-2-5-12(13)18(10-4-8-15)14-7-9-16-11-17-14/h2-3,5-7,9,11H,4,8,10,15H2,1H3.
What are the key properties of N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine?
N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine has a molecular weight of 258.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyphenyl)-N'-pyrimidin-4-ylpropane-1,3-diamine is sourced from PubChem (CID 61251851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).