5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride

C19H25ClN6S — CID 171667170

IUPAC5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride
SMILESCCCN1CCN(c2ncc(-c3nccn3C)c(-c3cccs3)n2)CC1.Cl
InChIInChI=1S/C19H24N6S.ClH/c1-3-7-24-9-11-25(12-10-24)19-21-14-15(18-20-6-8-23(18)2)17(22-19)16-5-4-13-26-16;/h4-6,8,13-14H,3,7,9-12H2,1-2H3;1H
InChIKeyAHPRRRYOPJKVNA-UHFFFAOYSA-N
MW404.97 g/mol
LogP3.56
Rot. Bonds5

About 5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride

5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride (PubChem CID 171667170) has the molecular formula C19H25ClN6S and a molecular weight of 404.97 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride.

Molecular Properties

Compound Name5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride
PubChem CID171667170
Molecular FormulaC19H25ClN6S
Molecular Weight404.97 g/mol
Exact Mass404.15
IUPAC Name5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride
SMILESCCCN1CCN(c2ncc(-c3nccn3C)c(-c3cccs3)n2)CC1.Cl
InChIInChI=1S/C19H24N6S.ClH/c1-3-7-24-9-11-25(12-10-24)19-21-14-15(18-20-6-8-23(18)2)17(22-19)16-5-4-13-26-16;/h4-6,8,13-14H,3,7,9-12H2,1-2H3;1H
InChIKeyAHPRRRYOPJKVNA-UHFFFAOYSA-N
XLogP3.56
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.97
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride?
The IUPAC name of 5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride (CID 171667170) is 5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride.
What is the SMILES notation for 5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride?
The canonical SMILES for 5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride is CCCN1CCN(c2ncc(-c3nccn3C)c(-c3cccs3)n2)CC1.Cl.
What is the InChIKey of 5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride?
The InChIKey is AHPRRRYOPJKVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6S.ClH/c1-3-7-24-9-11-25(12-10-24)19-21-14-15(18-20-6-8-23(18)2)17(22-19)16-5-4-13-26-16;/h4-6,8,13-14H,3,7,9-12H2,1-2H3;1H.
What are the key properties of 5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride?
5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride has a molecular weight of 404.97 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-2-yl)-2-(4-propylpiperazin-1-yl)-4-thiophen-2-ylpyrimidine;hydrochloride is sourced from PubChem (CID 171667170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).