N,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine

C24H30N4O — CID 173148075

IUPACN,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCCN(CC)CCN(c1ccc(C)cc1)c1cc(-c2ccccc2OC)ncn1
InChIInChI=1S/C24H30N4O/c1-5-27(6-2)15-16-28(20-13-11-19(3)12-14-20)24-17-22(25-18-26-24)21-9-7-8-10-23(21)29-4/h7-14,17-18H,5-6,15-16H2,1-4H3
InChIKeyHWRMDPLWUNTYTB-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.94
Rot. Bonds9

About N,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine

N,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 173148075) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine
PubChem CID173148075
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine
SMILESCCN(CC)CCN(c1ccc(C)cc1)c1cc(-c2ccccc2OC)ncn1
InChIInChI=1S/C24H30N4O/c1-5-27(6-2)15-16-28(20-13-11-19(3)12-14-20)24-17-22(25-18-26-24)21-9-7-8-10-23(21)29-4/h7-14,17-18H,5-6,15-16H2,1-4H3
InChIKeyHWRMDPLWUNTYTB-UHFFFAOYSA-N
XLogP4.94
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine (CID 173148075) is N,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine is CCN(CC)CCN(c1ccc(C)cc1)c1cc(-c2ccccc2OC)ncn1.
What is the InChIKey of N,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is HWRMDPLWUNTYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-5-27(6-2)15-16-28(20-13-11-19(3)12-14-20)24-17-22(25-18-26-24)21-9-7-8-10-23(21)29-4/h7-14,17-18H,5-6,15-16H2,1-4H3.
What are the key properties of N,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine?
N,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 390.53 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-N'-[6-(2-methoxyphenyl)pyrimidin-4-yl]-N'-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 173148075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).