(4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone

C19H26N6OS — CID 155494338

IUPAC(4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone
SMILESCc1ncnc(C)c1C(=O)N1CCC(C2CCN(c3nncs3)CC2)CC1
InChIInChI=1S/C19H26N6OS/c1-13-17(14(2)21-11-20-13)18(26)24-7-3-15(4-8-24)16-5-9-25(10-6-16)19-23-22-12-27-19/h11-12,15-16H,3-10H2,1-2H3
InChIKeyYHJDPPRCFWNQLX-UHFFFAOYSA-N
MW386.53 g/mol
LogP2.71
Rot. Bonds3

About (4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone

(4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone (PubChem CID 155494338) has the molecular formula C19H26N6OS and a molecular weight of 386.53 g/mol. Its IUPAC name is (4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone
PubChem CID155494338
Molecular FormulaC19H26N6OS
Molecular Weight386.53 g/mol
Exact Mass386.19
IUPAC Name(4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone
SMILESCc1ncnc(C)c1C(=O)N1CCC(C2CCN(c3nncs3)CC2)CC1
InChIInChI=1S/C19H26N6OS/c1-13-17(14(2)21-11-20-13)18(26)24-7-3-15(4-8-24)16-5-9-25(10-6-16)19-23-22-12-27-19/h11-12,15-16H,3-10H2,1-2H3
InChIKeyYHJDPPRCFWNQLX-UHFFFAOYSA-N
XLogP2.71
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of (4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone (CID 155494338) is (4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone is Cc1ncnc(C)c1C(=O)N1CCC(C2CCN(c3nncs3)CC2)CC1.
What is the InChIKey of (4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is YHJDPPRCFWNQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6OS/c1-13-17(14(2)21-11-20-13)18(26)24-7-3-15(4-8-24)16-5-9-25(10-6-16)19-23-22-12-27-19/h11-12,15-16H,3-10H2,1-2H3.
What are the key properties of (4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone?
(4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 386.53 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethylpyrimidin-5-yl)-[4-[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 155494338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).