(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone

C19H21N7OS — CID 71800144

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)s1
InChIInChI=1S/C19H21N7OS/c1-13-18(28-14(2)23-13)19(27)26-9-7-25(8-10-26)17-11-16(21-12-22-17)24-15-5-3-4-6-20-15/h3-6,11-12H,7-10H2,1-2H3,(H,20,21,22,24)
InChIKeyUGKNURZEEDDBSS-UHFFFAOYSA-N
MW395.49 g/mol
LogP2.65
Rot. Bonds4

About (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 71800144) has the molecular formula C19H21N7OS and a molecular weight of 395.49 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
PubChem CID71800144
Molecular FormulaC19H21N7OS
Molecular Weight395.49 g/mol
Exact Mass395.15
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)s1
InChIInChI=1S/C19H21N7OS/c1-13-18(28-14(2)23-13)19(27)26-9-7-25(8-10-26)17-11-16(21-12-22-17)24-15-5-3-4-6-20-15/h3-6,11-12H,7-10H2,1-2H3,(H,20,21,22,24)
InChIKeyUGKNURZEEDDBSS-UHFFFAOYSA-N
XLogP2.65
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone (CID 71800144) is (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?
The InChIKey is UGKNURZEEDDBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7OS/c1-13-18(28-14(2)23-13)19(27)26-9-7-25(8-10-26)17-11-16(21-12-22-17)24-15-5-3-4-6-20-15/h3-6,11-12H,7-10H2,1-2H3,(H,20,21,22,24).
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 395.49 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[4-[6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 71800144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).