4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine

C19H22N4OS — CID 118733456

IUPAC4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1nc(-c2ccccc2)sc1COc1ccnc(NCC(C)C)n1
InChIInChI=1S/C19H22N4OS/c1-13(2)11-21-19-20-10-9-17(23-19)24-12-16-14(3)22-18(25-16)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,20,21,23)
InChIKeyBFSKZHDECIFIQO-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.56
Rot. Bonds7

About 4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine

4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine (PubChem CID 118733456) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine
PubChem CID118733456
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine
SMILESCc1nc(-c2ccccc2)sc1COc1ccnc(NCC(C)C)n1
InChIInChI=1S/C19H22N4OS/c1-13(2)11-21-19-20-10-9-17(23-19)24-12-16-14(3)22-18(25-16)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,20,21,23)
InChIKeyBFSKZHDECIFIQO-UHFFFAOYSA-N
XLogP4.56
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine?
The IUPAC name of 4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine (CID 118733456) is 4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine is Cc1nc(-c2ccccc2)sc1COc1ccnc(NCC(C)C)n1.
What is the InChIKey of 4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine?
The InChIKey is BFSKZHDECIFIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-13(2)11-21-19-20-10-9-17(23-19)24-12-16-14(3)22-18(25-16)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,20,21,23).
What are the key properties of 4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine?
4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine has a molecular weight of 354.48 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methoxy]-N-(2-methylpropyl)pyrimidin-2-amine is sourced from PubChem (CID 118733456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).