6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine

C20H20F3N5 — CID 159199104

IUPAC6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc2c(N3CCCCC3)ncnc2cc1-c1nc(N)ccc1C(F)(F)F
InChIInChI=1S/C20H20F3N5/c1-12-9-14-16(25-11-26-19(14)28-7-3-2-4-8-28)10-13(12)18-15(20(21,22)23)5-6-17(24)27-18/h5-6,9-11H,2-4,7-8H2,1H3,(H2,24,27)
InChIKeyLUZYDDRUBAITIO-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.59
Rot. Bonds2

About 6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine

6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 159199104) has the molecular formula C20H20F3N5 and a molecular weight of 387.41 g/mol. Its IUPAC name is 6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID159199104
Molecular FormulaC20H20F3N5
Molecular Weight387.41 g/mol
Exact Mass387.17
IUPAC Name6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine
SMILESCc1cc2c(N3CCCCC3)ncnc2cc1-c1nc(N)ccc1C(F)(F)F
InChIInChI=1S/C20H20F3N5/c1-12-9-14-16(25-11-26-19(14)28-7-3-2-4-8-28)10-13(12)18-15(20(21,22)23)5-6-17(24)27-18/h5-6,9-11H,2-4,7-8H2,1H3,(H2,24,27)
InChIKeyLUZYDDRUBAITIO-UHFFFAOYSA-N
XLogP4.59
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine (CID 159199104) is 6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine is Cc1cc2c(N3CCCCC3)ncnc2cc1-c1nc(N)ccc1C(F)(F)F.
What is the InChIKey of 6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LUZYDDRUBAITIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5/c1-12-9-14-16(25-11-26-19(14)28-7-3-2-4-8-28)10-13(12)18-15(20(21,22)23)5-6-17(24)27-18/h5-6,9-11H,2-4,7-8H2,1H3,(H2,24,27).
What are the key properties of 6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine?
6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 387.41 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methyl-4-piperidin-1-ylquinazolin-7-yl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 159199104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).