5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine

C20H22FN5O — CID 68874573

IUPAC5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OC(c3ccccc3F)C3CCNCC3)cccc2n1
InChIInChI=1S/C20H22FN5O/c21-14-5-2-1-4-13(14)18(12-8-10-24-11-9-12)27-16-7-3-6-15-17(16)19(22)26-20(23)25-15/h1-7,12,18,24H,8-11H2,(H4,22,23,25,26)
InChIKeyWOPBCJPSPDTRAN-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.05
Rot. Bonds4

About 5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine

5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine (PubChem CID 68874573) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine.

Molecular Properties

Compound Name5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine
PubChem CID68874573
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine
SMILESNc1nc(N)c2c(OC(c3ccccc3F)C3CCNCC3)cccc2n1
InChIInChI=1S/C20H22FN5O/c21-14-5-2-1-4-13(14)18(12-8-10-24-11-9-12)27-16-7-3-6-15-17(16)19(22)26-20(23)25-15/h1-7,12,18,24H,8-11H2,(H4,22,23,25,26)
InChIKeyWOPBCJPSPDTRAN-UHFFFAOYSA-N
XLogP3.05
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine?
The IUPAC name of 5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine (CID 68874573) is 5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine.
What is the SMILES notation for 5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine?
The canonical SMILES for 5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine is Nc1nc(N)c2c(OC(c3ccccc3F)C3CCNCC3)cccc2n1.
What is the InChIKey of 5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine?
The InChIKey is WOPBCJPSPDTRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c21-14-5-2-1-4-13(14)18(12-8-10-24-11-9-12)27-16-7-3-6-15-17(16)19(22)26-20(23)25-15/h1-7,12,18,24H,8-11H2,(H4,22,23,25,26).
What are the key properties of 5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine?
5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine has a molecular weight of 367.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)-piperidin-4-ylmethoxy]quinazoline-2,4-diamine is sourced from PubChem (CID 68874573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).