4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline

C19H27N5O — CID 162626259

IUPAC4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline
SMILESCOCCN1CCN(c2nccc(-c3ccc(N(C)C)cc3)n2)CC1
InChIInChI=1S/C19H27N5O/c1-22(2)17-6-4-16(5-7-17)18-8-9-20-19(21-18)24-12-10-23(11-13-24)14-15-25-3/h4-9H,10-15H2,1-3H3
InChIKeyUNJCUNYIFGJUKG-UHFFFAOYSA-N
MW341.46 g/mol
LogP1.98
Rot. Bonds6

About 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline

4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline (PubChem CID 162626259) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline
PubChem CID162626259
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline
SMILESCOCCN1CCN(c2nccc(-c3ccc(N(C)C)cc3)n2)CC1
InChIInChI=1S/C19H27N5O/c1-22(2)17-6-4-16(5-7-17)18-8-9-20-19(21-18)24-12-10-23(11-13-24)14-15-25-3/h4-9H,10-15H2,1-3H3
InChIKeyUNJCUNYIFGJUKG-UHFFFAOYSA-N
XLogP1.98
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-4-(2-piperazin-1-ylpyrimidin-4-yl)aniline
CID 103278373
N,N-dimethyl-4-[2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)pyrimidin-4-yl]aniline
CID 163305256
N-[1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidin-4-yl]acetamide
CID 162626102
4-[4-(dimethylamino)phenyl]-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 162625969
1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]piperidine-3-carboxamide
CID 162637727
4-(4-methylphenyl)-2-piperidin-1-ylpyrimidine
CID 51371027
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
4-[4-(dimethylamino)phenyl]-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 162627933
2-(4-ethylpiperazin-1-yl)-N,N-dimethylpyrimidin-4-amine
CID 133365840
4-methoxy-2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
CID 47528578
1-[4-[4-(dimethylamino)phenyl]pyrimidin-2-yl]pyrazole-4-carboxylic acid
CID 143457959
1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133369766

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline?
The IUPAC name of 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline (CID 162626259) is 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline?
The canonical SMILES for 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline is COCCN1CCN(c2nccc(-c3ccc(N(C)C)cc3)n2)CC1.
What is the InChIKey of 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline?
The InChIKey is UNJCUNYIFGJUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-22(2)17-6-4-16(5-7-17)18-8-9-20-19(21-18)24-12-10-23(11-13-24)14-15-25-3/h4-9H,10-15H2,1-3H3.
What are the key properties of 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline?
4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline has a molecular weight of 341.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methoxyethyl)piperazin-1-yl]pyrimidin-4-yl]-N,N-dimethylaniline is sourced from PubChem (CID 162626259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).