6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine

C29H33N5O2 — CID 68592866

IUPAC6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)CCOc1ccc(-c2nc(N)nc(Nc3ccccc3OC)c2-c2ccccc2)cc1
InChIInChI=1S/C29H33N5O2/c1-4-34(5-2)19-20-36-23-17-15-22(16-18-23)27-26(21-11-7-6-8-12-21)28(33-29(30)32-27)31-24-13-9-10-14-25(24)35-3/h6-18H,4-5,19-20H2,1-3H3,(H3,30,31,32,33)
InChIKeyGGVOEKSEPBZTOR-UHFFFAOYSA-N
MW483.62 g/mol
LogP5.87
Rot. Bonds11

About 6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine

6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine (PubChem CID 68592866) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine
PubChem CID68592866
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine
SMILESCCN(CC)CCOc1ccc(-c2nc(N)nc(Nc3ccccc3OC)c2-c2ccccc2)cc1
InChIInChI=1S/C29H33N5O2/c1-4-34(5-2)19-20-36-23-17-15-22(16-18-23)27-26(21-11-7-6-8-12-21)28(33-29(30)32-27)31-24-13-9-10-14-25(24)35-3/h6-18H,4-5,19-20H2,1-3H3,(H3,30,31,32,33)
InChIKeyGGVOEKSEPBZTOR-UHFFFAOYSA-N
XLogP5.87
TPSA85.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[4-[2-(diethylamino)ethoxy]phenyl]-4-N,5-bis(2-methoxyphenyl)pyrimidine-2,4-diamine
CID 25103821
6-[4-[2-(diethylamino)ethoxy]phenyl]pteridine-2,4,7-triamine
CID 3025515
2-[4-[3-(4-chlorophenyl)-5-phenylphenyl]phenoxy]-N,N-diethylethanamine
CID 160547333
5-(3-chloro-4-methoxyphenyl)-4-N-methyl-6-phenylpyrimidine-2,4-diamine
CID 68647736
5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 71225115
N,N-diethyl-2-[4-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]phenoxy]ethanamine
CID 122184570
2-(3,5-dimethyl-4-phenylphenoxy)-N,N-diethylethanamine
CID 141121125
2-amino-8-[2-(dimethylamino)ethoxy]-4-phenylindeno[1,2-d]pyrimidin-5-one
CID 46889252
4-N-(2-ethoxyphenyl)quinazoline-2,4-diamine
CID 80738238
N-[5-[2-(diethylamino)ethoxy]-2-methoxyphenyl]-4,6-bis(4-fluorophenyl)pyrimidine-2-carboxamide
CID 86305044
5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 139449783
5-[3-[2-(diethylamino)ethoxy]-4-methoxyphenyl]-4-N-(2-ethylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 71225109

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine?
The IUPAC name of 6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine (CID 68592866) is 6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine is CCN(CC)CCOc1ccc(-c2nc(N)nc(Nc3ccccc3OC)c2-c2ccccc2)cc1.
What is the InChIKey of 6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine?
The InChIKey is GGVOEKSEPBZTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-4-34(5-2)19-20-36-23-17-15-22(16-18-23)27-26(21-11-7-6-8-12-21)28(33-29(30)32-27)31-24-13-9-10-14-25(24)35-3/h6-18H,4-5,19-20H2,1-3H3,(H3,30,31,32,33).
What are the key properties of 6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine?
6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine has a molecular weight of 483.62 g/mol, XLogP of 5.87, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(diethylamino)ethoxy]phenyl]-4-N-(2-methoxyphenyl)-5-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 68592866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).