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

C24H30N6O — CID 142615716

IUPAC4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine
SMILESCCC1CN(c2ccc(-c3ccnc(Nc4cc(C)c(C)c(OC)c4)n3)cn2)CCN1
InChIInChI=1S/C24H30N6O/c1-5-19-15-30(11-10-25-19)23-7-6-18(14-27-23)21-8-9-26-24(29-21)28-20-12-16(2)17(3)22(13-20)31-4/h6-9,12-14,19,25H,5,10-11,15H2,1-4H3,(H,26,28,29)
InChIKeyOWBIKAAOXDEASB-UHFFFAOYSA-N
MW418.55 g/mol
LogP4.10
Rot. Bonds6

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

4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine (PubChem CID 142615716) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine
PubChem CID142615716
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine
SMILESCCC1CN(c2ccc(-c3ccnc(Nc4cc(C)c(C)c(OC)c4)n3)cn2)CCN1
InChIInChI=1S/C24H30N6O/c1-5-19-15-30(11-10-25-19)23-7-6-18(14-27-23)21-8-9-26-24(29-21)28-20-12-16(2)17(3)22(13-20)31-4/h6-9,12-14,19,25H,5,10-11,15H2,1-4H3,(H,26,28,29)
InChIKeyOWBIKAAOXDEASB-UHFFFAOYSA-N
XLogP4.10
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-ethyl-4,5-dimethoxyphenyl)-4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine
CID 142616294
4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23536078
N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 18545620
(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
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
N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine
CID 18697939
3-ethyl-1-(4-methoxy-3-methylphenyl)piperazine
CID 64926350
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
3-chloroaniline;N-(3-chlorophenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 70342501
1-[5-[2-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]pyrimidin-4-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 68987479

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine (CID 142615716) is 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine is CCC1CN(c2ccc(-c3ccnc(Nc4cc(C)c(C)c(OC)c4)n3)cn2)CCN1.
What is the InChIKey of 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is OWBIKAAOXDEASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-5-19-15-30(11-10-25-19)23-7-6-18(14-27-23)21-8-9-26-24(29-21)28-20-12-16(2)17(3)22(13-20)31-4/h6-9,12-14,19,25H,5,10-11,15H2,1-4H3,(H,26,28,29).
What are the key properties of 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine?
4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 418.55 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-ethylpiperazin-1-yl)-3-pyridinyl]-N-(3-methoxy-4,5-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 142615716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).