(4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone

C20H23N9OS — CID 53172133

IUPAC(4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
SMILESO=C(c1cn(-c2cc(N3CCSCC3)ncn2)cn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H23N9OS/c30-19(27-4-6-28(7-5-27)20-21-2-1-3-22-20)16-13-29(15-25-16)18-12-17(23-14-24-18)26-8-10-31-11-9-26/h1-3,12-15H,4-11H2
InChIKeyDAIMPVOBFZYCCG-UHFFFAOYSA-N
MW437.53 g/mol
LogP0.97
Rot. Bonds4

About (4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone

(4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone (PubChem CID 53172133) has the molecular formula C20H23N9OS and a molecular weight of 437.53 g/mol. Its IUPAC name is (4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
PubChem CID53172133
Molecular FormulaC20H23N9OS
Molecular Weight437.53 g/mol
Exact Mass437.17
IUPAC Name(4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
SMILESO=C(c1cn(-c2cc(N3CCSCC3)ncn2)cn1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H23N9OS/c30-19(27-4-6-28(7-5-27)20-21-2-1-3-22-20)16-13-29(15-25-16)18-12-17(23-14-24-18)26-8-10-31-11-9-26/h1-3,12-15H,4-11H2
InChIKeyDAIMPVOBFZYCCG-UHFFFAOYSA-N
XLogP0.97
TPSA96.17 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone with MolForge

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Related Compounds

azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
CID 53172126
[1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53171940
N-(3-methylphenyl)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53172092
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone
CID 100816160
ethyl 4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112862923
4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112855694
(6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone
CID 127265950
(1-methyltriazol-4-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342905
[6-(4-methylanilino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109353234
4-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858250
N-phenyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171968
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499

Frequently Asked Questions

What is the IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
The IUPAC name of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone (CID 53172133) is (4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone.
What is the SMILES notation for (4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
The canonical SMILES for (4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone is O=C(c1cn(-c2cc(N3CCSCC3)ncn2)cn1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
The InChIKey is DAIMPVOBFZYCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N9OS/c30-19(27-4-6-28(7-5-27)20-21-2-1-3-22-20)16-13-29(15-25-16)18-12-17(23-14-24-18)26-8-10-31-11-9-26/h1-3,12-15H,4-11H2.
What are the key properties of (4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone?
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone has a molecular weight of 437.53 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyrimidin-2-ylpiperazin-1-yl)-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone is sourced from PubChem (CID 53172133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).