2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide

C22H26N6O2S — CID 162645165

IUPAC2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCc2nccs2)cc(N2CCOCC2)n1
InChIInChI=1S/C22H26N6O2S/c1-27(9-7-17-5-3-2-4-6-17)22-25-18(21(29)24-16-20-23-8-14-31-20)15-19(26-22)28-10-12-30-13-11-28/h2-6,8,14-15H,7,9-13,16H2,1H3,(H,24,29)
InChIKeySFUAIZUCXGQDAN-UHFFFAOYSA-N
MW438.56 g/mol
LogP2.38
Rot. Bonds8

About 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide

2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 162645165) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID162645165
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC Name2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCN(CCc1ccccc1)c1nc(C(=O)NCc2nccs2)cc(N2CCOCC2)n1
InChIInChI=1S/C22H26N6O2S/c1-27(9-7-17-5-3-2-4-6-17)22-25-18(21(29)24-16-20-23-8-14-31-20)15-19(26-22)28-10-12-30-13-11-28/h2-6,8,14-15H,7,9-13,16H2,1H3,(H,24,29)
InChIKeySFUAIZUCXGQDAN-UHFFFAOYSA-N
XLogP2.38
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide (CID 162645165) is 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide is CN(CCc1ccccc1)c1nc(C(=O)NCc2nccs2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is SFUAIZUCXGQDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-27(9-7-17-5-3-2-4-6-17)22-25-18(21(29)24-16-20-23-8-14-31-20)15-19(26-22)28-10-12-30-13-11-28/h2-6,8,14-15H,7,9-13,16H2,1H3,(H,24,29).
What are the key properties of 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide?
2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 438.56 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-phenylethyl)amino]-6-morpholin-4-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 162645165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).