2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine

C21H29F2N5 — CID 147507445

IUPAC2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
SMILESCC(C)N1CCC(Nc2nc(N3CCC(F)(F)CC3)nc3ccccc23)CC1
InChIInChI=1S/C21H29F2N5/c1-15(2)27-11-7-16(8-12-27)24-19-17-5-3-4-6-18(17)25-20(26-19)28-13-9-21(22,23)10-14-28/h3-6,15-16H,7-14H2,1-2H3,(H,24,25,26)
InChIKeyFIPUDOFKPDSGLQ-UHFFFAOYSA-N
MW389.49 g/mol
LogP4.15
Rot. Bonds4

About 2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine

2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine (PubChem CID 147507445) has the molecular formula C21H29F2N5 and a molecular weight of 389.49 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
PubChem CID147507445
Molecular FormulaC21H29F2N5
Molecular Weight389.49 g/mol
Exact Mass389.24
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine
SMILESCC(C)N1CCC(Nc2nc(N3CCC(F)(F)CC3)nc3ccccc23)CC1
InChIInChI=1S/C21H29F2N5/c1-15(2)27-11-7-16(8-12-27)24-19-17-5-3-4-6-18(17)25-20(26-19)28-13-9-21(22,23)10-14-28/h3-6,15-16H,7-14H2,1-2H3,(H,24,25,26)
InChIKeyFIPUDOFKPDSGLQ-UHFFFAOYSA-N
XLogP4.15
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine (CID 147507445) is 2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine is CC(C)N1CCC(Nc2nc(N3CCC(F)(F)CC3)nc3ccccc23)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine?
The InChIKey is FIPUDOFKPDSGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F2N5/c1-15(2)27-11-7-16(8-12-27)24-19-17-5-3-4-6-18(17)25-20(26-19)28-13-9-21(22,23)10-14-28/h3-6,15-16H,7-14H2,1-2H3,(H,24,25,26).
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine?
2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine has a molecular weight of 389.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)quinazolin-4-amine is sourced from PubChem (CID 147507445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).