6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide

C18H18N6O2S — CID 46978556

IUPAC6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H18N6O2S/c1-12-10-14(21-17(20-12)24-6-8-26-9-7-24)16(25)23-18-22-15(11-27-18)13-4-2-3-5-19-13/h2-5,10-11H,6-9H2,1H3,(H,22,23,25)
InChIKeyATUPNJBZXXDZMO-UHFFFAOYSA-N
MW382.45 g/mol
LogP2.39
Rot. Bonds4

About 6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide

6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide (PubChem CID 46978556) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is 6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
PubChem CID46978556
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H18N6O2S/c1-12-10-14(21-17(20-12)24-6-8-26-9-7-24)16(25)23-18-22-15(11-27-18)13-4-2-3-5-19-13/h2-5,10-11H,6-9H2,1H3,(H,22,23,25)
InChIKeyATUPNJBZXXDZMO-UHFFFAOYSA-N
XLogP2.39
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide (CID 46978556) is 6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is ATUPNJBZXXDZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2S/c1-12-10-14(21-17(20-12)24-6-8-26-9-7-24)16(25)23-18-22-15(11-27-18)13-4-2-3-5-19-13/h2-5,10-11H,6-9H2,1H3,(H,22,23,25).
What are the key properties of 6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 46978556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).