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

C20H23N5OS — CID 11372456

IUPACN-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCOCC4)s3)n2)c1
InChIInChI=1S/C20H23N5OS/c1-14-9-15(2)11-16(10-14)23-20-21-4-3-18(24-20)19-22-12-17(27-19)13-25-5-7-26-8-6-25/h3-4,9-12H,5-8,13H2,1-2H3,(H,21,23,24)
InChIKeyAEAATSALZFUZTL-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.79
Rot. Bonds5

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

N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine (PubChem CID 11372456) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
PubChem CID11372456
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCOCC4)s3)n2)c1
InChIInChI=1S/C20H23N5OS/c1-14-9-15(2)11-16(10-14)23-20-21-4-3-18(24-20)19-22-12-17(27-19)13-25-5-7-26-8-6-25/h3-4,9-12H,5-8,13H2,1-2H3,(H,21,23,24)
InChIKeyAEAATSALZFUZTL-UHFFFAOYSA-N
XLogP3.79
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine (CID 11372456) is N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3ncc(CN4CCOCC4)s3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
The InChIKey is AEAATSALZFUZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-14-9-15(2)11-16(10-14)23-20-21-4-3-18(24-20)19-22-12-17(27-19)13-25-5-7-26-8-6-25/h3-4,9-12H,5-8,13H2,1-2H3,(H,21,23,24).
What are the key properties of N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine has a molecular weight of 381.51 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 11372456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).