N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine

C21H25N5S — CID 11280419

IUPACN-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCCCC4)s3)n2)c1
InChIInChI=1S/C21H25N5S/c1-15-10-16(2)12-17(11-15)24-21-22-7-6-19(25-21)20-23-13-18(27-20)14-26-8-4-3-5-9-26/h6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,22,24,25)
InChIKeyFBNQXVPPMMTGAE-UHFFFAOYSA-N
MW379.53 g/mol
LogP4.95
Rot. Bonds5

About N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine

N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine (PubChem CID 11280419) has the molecular formula C21H25N5S and a molecular weight of 379.53 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
PubChem CID11280419
Molecular FormulaC21H25N5S
Molecular Weight379.53 g/mol
Exact Mass379.18
IUPAC NameN-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCCCC4)s3)n2)c1
InChIInChI=1S/C21H25N5S/c1-15-10-16(2)12-17(11-15)24-21-22-7-6-19(25-21)20-23-13-18(27-20)14-26-8-4-3-5-9-26/h6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,22,24,25)
InChIKeyFBNQXVPPMMTGAE-UHFFFAOYSA-N
XLogP4.95
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine (CID 11280419) is N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCCCC4)s3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
The InChIKey is FBNQXVPPMMTGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5S/c1-15-10-16(2)12-17(11-15)24-21-22-7-6-19(25-21)20-23-13-18(27-20)14-26-8-4-3-5-9-26/h6-7,10-13H,3-5,8-9,14H2,1-2H3,(H,22,24,25).
What are the key properties of N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine has a molecular weight of 379.53 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 11280419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).