N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine

C15H20N4O — CID 117212505

IUPACN'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine
SMILESCOc1ccccc1-c1nc(C)c(NCCN)c(C)n1
InChIInChI=1S/C15H20N4O/c1-10-14(17-9-8-16)11(2)19-15(18-10)12-6-4-5-7-13(12)20-3/h4-7,17H,8-9,16H2,1-3H3
InChIKeyMDFMNEIFMAVNAA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.14
Rot. Bonds5

About N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine

N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine (PubChem CID 117212505) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine
PubChem CID117212505
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine
SMILESCOc1ccccc1-c1nc(C)c(NCCN)c(C)n1
InChIInChI=1S/C15H20N4O/c1-10-14(17-9-8-16)11(2)19-15(18-10)12-6-4-5-7-13(12)20-3/h4-7,17H,8-9,16H2,1-3H3
InChIKeyMDFMNEIFMAVNAA-UHFFFAOYSA-N
XLogP2.14
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212501
3-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]-N-methylpropan-1-amine
CID 62744903
N'-[6-chloro-2-(2-methoxyphenyl)quinazolin-4-yl]ethane-1,2-diamine
CID 24860253
N'-[2-(2-methoxyphenyl)pyrimidin-5-yl]propane-1,3-diamine
CID 117212394
N'-[2-(4-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propane-1,3-diamine
CID 117212536
[5-(2-methoxyphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 82079249
N'-[2-cyclopentyl-4-(2-methoxyphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117211831
5-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
CID 82569309
N'-(3-methoxy-2-pyridinyl)ethane-1,2-diamine
CID 83826958
3-[2-(2-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 115534345
N'-[4-methyl-2-(2-methylphenyl)pyrimidin-5-yl]ethane-1,2-diamine
CID 117212333
4-(chloromethyl)-2-(2-methoxyphenyl)-6-methylpyrimidine
CID 62744844

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine (CID 117212505) is N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine is COc1ccccc1-c1nc(C)c(NCCN)c(C)n1.
What is the InChIKey of N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine?
The InChIKey is MDFMNEIFMAVNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-14(17-9-8-16)11(2)19-15(18-10)12-6-4-5-7-13(12)20-3/h4-7,17H,8-9,16H2,1-3H3.
What are the key properties of N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine?
N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine has a molecular weight of 272.35 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methoxyphenyl)-4,6-dimethylpyrimidin-5-yl]ethane-1,2-diamine is sourced from PubChem (CID 117212505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).