N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine

C16H22N4O — CID 5457

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IUPACN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2ncccn2)cc1
InChIInChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3
InChIKeyGULNIHOSWFYMRN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.05
Rot. Bonds7

About N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine

N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine (PubChem CID 5457) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine
PubChem CID5457
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine
SMILESCOc1ccc(CN(CCN(C)C)c2ncccn2)cc1
InChIInChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3
InChIKeyGULNIHOSWFYMRN-UHFFFAOYSA-N
XLogP2.05
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrilamine
CID 4992
Pyrilamine Maleate
CID 5284451
Piribedil
CID 4850
Thonzonium
CID 5456
Thonzylamine Hydrochloride
CID 6136
Thonzonium Bromide
CID 11102
Piribedil Hydrochloride
CID 3038520
Pyrilamine hydrochloride
CID 80139
2,4-Pyrimidinediamine, 5-((4-methoxyphenyl)methyl)-
CID 88462
2-[4-(4-Methoxyphenyl)-1-piperazinyl]pyrimidine
CID 198995
5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
4-(Pyrimidin-2-yloxy)benzonitrile
CID 901072

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine (CID 5457) is N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine is COc1ccc(CN(CCN(C)C)c2ncccn2)cc1.
What is the InChIKey of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine?
The InChIKey is GULNIHOSWFYMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3.
What are the key properties of N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine?
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine has a molecular weight of 286.38 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine is sourced from PubChem (CID 5457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).