N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine

C25H32N6O2 — CID 142616294

IUPACN-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine
SMILESCCc1cc(Nc2nccc(-c3ccc(N4CCNC(CC)C4)nc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H32N6O2/c1-5-17-13-20(14-22(32-3)24(17)33-4)29-25-27-10-9-21(30-25)18-7-8-23(28-15-18)31-12-11-26-19(6-2)16-31/h7-10,13-15,19,26H,5-6,11-12,16H2,1-4H3,(H,27,29,30)
InChIKeyQWOGBKWEIAEFGW-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.05
Rot. Bonds8

About N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine

N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine (PubChem CID 142616294) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine
PubChem CID142616294
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC NameN-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine
SMILESCCc1cc(Nc2nccc(-c3ccc(N4CCNC(CC)C4)nc3)n2)cc(OC)c1OC
InChIInChI=1S/C25H32N6O2/c1-5-17-13-20(14-22(32-3)24(17)33-4)29-25-27-10-9-21(30-25)18-7-8-23(28-15-18)31-12-11-26-19(6-2)16-31/h7-10,13-15,19,26H,5-6,11-12,16H2,1-4H3,(H,27,29,30)
InChIKeyQWOGBKWEIAEFGW-UHFFFAOYSA-N
XLogP4.05
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine with MolForge

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Related Compounds

4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine
CID 142615716
4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536078
(2S,4R)-1-[2-[[2-[2-[2-[2-[2-[5-[[4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-yl]amino]-2,3-dimethoxyphenoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 138694469
N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 18545620
4-[6-(dimethylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 69231092
N-methylmethanamine;4-[6-(1-methylpiperazin-1-ium-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 18545621
4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]phenol
CID 135815278
4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol
CID 18545602
3,4-dimethoxyaniline;N-[(3,4-dimethoxyphenyl)methyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 70341186
1-[4-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112888949
N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine
CID 18697939
N-(3,5-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 10272121

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine (CID 142616294) is N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine is CCc1cc(Nc2nccc(-c3ccc(N4CCNC(CC)C4)nc3)n2)cc(OC)c1OC.
What is the InChIKey of N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is QWOGBKWEIAEFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-5-17-13-20(14-22(32-3)24(17)33-4)29-25-27-10-9-21(30-25)18-7-8-23(28-15-18)31-12-11-26-19(6-2)16-31/h7-10,13-15,19,26H,5-6,11-12,16H2,1-4H3,(H,27,29,30).
What are the key properties of N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine?
N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 448.57 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 142616294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).