2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol

C19H20N4OS — CID 154841713

IUPAC2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol
SMILESCc1cc(N2CCN(c3ccccc3O)CC2)nc(-c2cccs2)n1
InChIInChI=1S/C19H20N4OS/c1-14-13-18(21-19(20-14)17-7-4-12-25-17)23-10-8-22(9-11-23)15-5-2-3-6-16(15)24/h2-7,12-13,24H,8-11H2,1H3
InChIKeyCFMORAUYOUXIEX-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.55
Rot. Bonds3

About 2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol

2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol (PubChem CID 154841713) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol
PubChem CID154841713
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol
SMILESCc1cc(N2CCN(c3ccccc3O)CC2)nc(-c2cccs2)n1
InChIInChI=1S/C19H20N4OS/c1-14-13-18(21-19(20-14)17-7-4-12-25-17)23-10-8-22(9-11-23)15-5-2-3-6-16(15)24/h2-7,12-13,24H,8-11H2,1H3
InChIKeyCFMORAUYOUXIEX-UHFFFAOYSA-N
XLogP3.55
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-methyl-6-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-1-yl]pyrimidin-2-yl]phenol
CID 137314021
2-[4-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 171334663
N-cyclopropyl-6-methyl-2-thiophen-2-ylpyrimidin-4-amine
CID 117088125
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 30633436
2-[methyl-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 138019137
5-[3-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 34908198
2-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidine
CID 62483420
[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 56700437
2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]benzonitrile
CID 171334402
4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-2-methylsulfanylpyrimidine
CID 155800473
2-[1-[4-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476555
2-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]phenol
CID 35417098

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol?
The IUPAC name of 2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol (CID 154841713) is 2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol is Cc1cc(N2CCN(c3ccccc3O)CC2)nc(-c2cccs2)n1.
What is the InChIKey of 2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol?
The InChIKey is CFMORAUYOUXIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-14-13-18(21-19(20-14)17-7-4-12-25-17)23-10-8-22(9-11-23)15-5-2-3-6-16(15)24/h2-7,12-13,24H,8-11H2,1H3.
What are the key properties of 2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol?
2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol has a molecular weight of 352.46 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-2-thiophen-2-ylpyrimidin-4-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 154841713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).