2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline

C15H21F2N3 — CID 141284263

IUPAC2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline
SMILESCC1(C)CCc2nc(CN3CCC(F)(F)C3)ncc2C1
InChIInChI=1S/C15H21F2N3/c1-14(2)4-3-12-11(7-14)8-18-13(19-12)9-20-6-5-15(16,17)10-20/h8H,3-7,9-10H2,1-2H3
InChIKeyZLRKLUUDLKSTPP-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.83
Rot. Bonds2

About 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline

2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline (PubChem CID 141284263) has the molecular formula C15H21F2N3 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline.

Molecular Properties

Compound Name2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline
PubChem CID141284263
Molecular FormulaC15H21F2N3
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline
SMILESCC1(C)CCc2nc(CN3CCC(F)(F)C3)ncc2C1
InChIInChI=1S/C15H21F2N3/c1-14(2)4-3-12-11(7-14)8-18-13(19-12)9-20-6-5-15(16,17)10-20/h8H,3-7,9-10H2,1-2H3
InChIKeyZLRKLUUDLKSTPP-UHFFFAOYSA-N
XLogP2.83
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline?
The IUPAC name of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline (CID 141284263) is 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline.
What is the SMILES notation for 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline?
The canonical SMILES for 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline is CC1(C)CCc2nc(CN3CCC(F)(F)C3)ncc2C1.
What is the InChIKey of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline?
The InChIKey is ZLRKLUUDLKSTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3/c1-14(2)4-3-12-11(7-14)8-18-13(19-12)9-20-6-5-15(16,17)10-20/h8H,3-7,9-10H2,1-2H3.
What are the key properties of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline?
2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline has a molecular weight of 281.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoropyrrolidin-1-yl)methyl]-6,6-dimethyl-7,8-dihydro-5H-quinazoline is sourced from PubChem (CID 141284263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).