5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

C22H21N5S — CID 108779908

IUPAC5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(C)c(Cc2ccccc2)c(NCc2csc(-c3ccccn3)n2)n1
InChIInChI=1S/C22H21N5S/c1-15-19(12-17-8-4-3-5-9-17)21(26-16(2)25-15)24-13-18-14-28-22(27-18)20-10-6-7-11-23-20/h3-11,14H,12-13H2,1-2H3,(H,24,25,26)
InChIKeyMFNGXAPRNVUJFC-UHFFFAOYSA-N
MW387.51 g/mol
LogP4.81
Rot. Bonds6

About 5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine

5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 108779908) has the molecular formula C22H21N5S and a molecular weight of 387.51 g/mol. Its IUPAC name is 5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID108779908
Molecular FormulaC22H21N5S
Molecular Weight387.51 g/mol
Exact Mass387.15
IUPAC Name5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
SMILESCc1nc(C)c(Cc2ccccc2)c(NCc2csc(-c3ccccn3)n2)n1
InChIInChI=1S/C22H21N5S/c1-15-19(12-17-8-4-3-5-9-17)21(26-16(2)25-15)24-13-18-14-28-22(27-18)20-10-6-7-11-23-20/h3-11,14H,12-13H2,1-2H3,(H,24,25,26)
InChIKeyMFNGXAPRNVUJFC-UHFFFAOYSA-N
XLogP4.81
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
N-[(2-methylpropan-2-yl)oxy]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 82720811
3-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234335
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanamine
CID 63280035
N-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 108777928
4-fluoro-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]aniline
CID 43234338
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 62396715
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-5-amine
CID 107588206
N'-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 55025320
2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 43234329
(1R)-1-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 78950455
6-phenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyridazin-3-amine
CID 108779877

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine (CID 108779908) is 5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is Cc1nc(C)c(Cc2ccccc2)c(NCc2csc(-c3ccccn3)n2)n1.
What is the InChIKey of 5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is MFNGXAPRNVUJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5S/c1-15-19(12-17-8-4-3-5-9-17)21(26-16(2)25-15)24-13-18-14-28-22(27-18)20-10-6-7-11-23-20/h3-11,14H,12-13H2,1-2H3,(H,24,25,26).
What are the key properties of 5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine?
5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 387.51 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,6-dimethyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 108779908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).