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

C19H18F3N5OS — CID 71075508

IUPACN-[3-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2csc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H18F3N5OS/c1-12-8-13(15-11-29-18(25-15)27-4-6-28-7-5-27)10-14(9-12)24-17-23-3-2-16(26-17)19(20,21)22/h2-3,8-11H,4-7H2,1H3,(H,23,24,26)
InChIKeyHQRMXMPFWWZGRU-UHFFFAOYSA-N
MW421.45 g/mol
LogP4.51
Rot. Bonds4

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

N-[3-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 71075508) has the molecular formula C19H18F3N5OS and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[3-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID71075508
Molecular FormulaC19H18F3N5OS
Molecular Weight421.45 g/mol
Exact Mass421.12
IUPAC NameN-[3-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2csc(N3CCOCC3)n2)c1
InChIInChI=1S/C19H18F3N5OS/c1-12-8-13(15-11-29-18(25-15)27-4-6-28-7-5-27)10-14(9-12)24-17-23-3-2-16(26-17)19(20,21)22/h2-3,8-11H,4-7H2,1H3,(H,23,24,26)
InChIKeyHQRMXMPFWWZGRU-UHFFFAOYSA-N
XLogP4.51
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[3-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 71075508) is N-[3-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[3-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[3-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2csc(N3CCOCC3)n2)c1.
What is the InChIKey of N-[3-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is HQRMXMPFWWZGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5OS/c1-12-8-13(15-11-29-18(25-15)27-4-6-28-7-5-27)10-14(9-12)24-17-23-3-2-16(26-17)19(20,21)22/h2-3,8-11H,4-7H2,1H3,(H,23,24,26).
What are the key properties of N-[3-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[3-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 421.45 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-5-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 71075508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).