6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine

C18H14F3N7S — CID 162767928

IUPAC6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cnc(-c2cc3c(N[C@H](C)c4cnc(C(F)(F)F)nc4)ncnc3cn2)s1
InChIInChI=1S/C18H14F3N7S/c1-9-4-23-16(29-9)13-3-12-14(7-22-13)26-8-27-15(12)28-10(2)11-5-24-17(25-6-11)18(19,20)21/h3-8,10H,1-2H3,(H,26,27,28)/t10-/m1/s1
InChIKeyIQNOIFFOCGEUDL-SNVBAGLBSA-N
MW417.42 g/mol
LogP4.44
Rot. Bonds4

About 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine

6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 162767928) has the molecular formula C18H14F3N7S and a molecular weight of 417.42 g/mol. Its IUPAC name is 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID162767928
Molecular FormulaC18H14F3N7S
Molecular Weight417.42 g/mol
Exact Mass417.10
IUPAC Name6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
SMILESCc1cnc(-c2cc3c(N[C@H](C)c4cnc(C(F)(F)F)nc4)ncnc3cn2)s1
InChIInChI=1S/C18H14F3N7S/c1-9-4-23-16(29-9)13-3-12-14(7-22-13)26-8-27-15(12)28-10(2)11-5-24-17(25-6-11)18(19,20)21/h3-8,10H,1-2H3,(H,26,27,28)/t10-/m1/s1
InChIKeyIQNOIFFOCGEUDL-SNVBAGLBSA-N
XLogP4.44
TPSA89.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine (CID 162767928) is 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine is Cc1cnc(-c2cc3c(N[C@H](C)c4cnc(C(F)(F)F)nc4)ncnc3cn2)s1.
What is the InChIKey of 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is IQNOIFFOCGEUDL-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H14F3N7S/c1-9-4-23-16(29-9)13-3-12-14(7-22-13)26-8-27-15(12)28-10(2)11-5-24-17(25-6-11)18(19,20)21/h3-8,10H,1-2H3,(H,26,27,28)/t10-/m1/s1.
What are the key properties of 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine?
6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 417.42 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1,3-thiazol-2-yl)-N-[(1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 162767928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).