6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine

C19H13F2N5 — CID 122478671

IUPAC6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine
SMILESNc1ncnc2ccc(-c3cccnc3-c3cccc(C(F)F)n3)cc12
InChIInChI=1S/C19H13F2N5/c20-18(21)16-5-1-4-15(26-16)17-12(3-2-8-23-17)11-6-7-14-13(9-11)19(22)25-10-24-14/h1-10,18H,(H2,22,24,25)
InChIKeyVOZYQUZWOHRZRX-UHFFFAOYSA-N
MW349.34 g/mol
LogP4.27
Rot. Bonds3

About 6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine

6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine (PubChem CID 122478671) has the molecular formula C19H13F2N5 and a molecular weight of 349.34 g/mol. Its IUPAC name is 6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine
PubChem CID122478671
Molecular FormulaC19H13F2N5
Molecular Weight349.34 g/mol
Exact Mass349.11
IUPAC Name6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine
SMILESNc1ncnc2ccc(-c3cccnc3-c3cccc(C(F)F)n3)cc12
InChIInChI=1S/C19H13F2N5/c20-18(21)16-5-1-4-15(26-16)17-12(3-2-8-23-17)11-6-7-14-13(9-11)19(22)25-10-24-14/h1-10,18H,(H2,22,24,25)
InChIKeyVOZYQUZWOHRZRX-UHFFFAOYSA-N
XLogP4.27
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine (CID 122478671) is 6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine is Nc1ncnc2ccc(-c3cccnc3-c3cccc(C(F)F)n3)cc12.
What is the InChIKey of 6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine?
The InChIKey is VOZYQUZWOHRZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5/c20-18(21)16-5-1-4-15(26-16)17-12(3-2-8-23-17)11-6-7-14-13(9-11)19(22)25-10-24-14/h1-10,18H,(H2,22,24,25).
What are the key properties of 6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine?
6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine has a molecular weight of 349.34 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(difluoromethyl)-2-pyridinyl]-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 122478671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).