8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride

C14H18ClF2N5O — CID 68922662

IUPAC8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride
SMILESCl.Nc1nc(N2CCNCC2)c2oc3c(c2n1)CC(F)(F)CC3
InChIInChI=1S/C14H17F2N5O.ClH/c15-14(16)2-1-9-8(7-14)10-11(22-9)12(20-13(17)19-10)21-5-3-18-4-6-21;/h18H,1-7H2,(H2,17,19,20);1H
InChIKeyJVPKREUKBWFBSO-UHFFFAOYSA-N
MW345.78 g/mol
LogP1.76
Rot. Bonds1

About 8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride

8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride (PubChem CID 68922662) has the molecular formula C14H18ClF2N5O and a molecular weight of 345.78 g/mol. Its IUPAC name is 8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound Name8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride
PubChem CID68922662
Molecular FormulaC14H18ClF2N5O
Molecular Weight345.78 g/mol
Exact Mass345.12
IUPAC Name8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride
SMILESCl.Nc1nc(N2CCNCC2)c2oc3c(c2n1)CC(F)(F)CC3
InChIInChI=1S/C14H17F2N5O.ClH/c15-14(16)2-1-9-8(7-14)10-11(22-9)12(20-13(17)19-10)21-5-3-18-4-6-21;/h18H,1-7H2,(H2,17,19,20);1H
InChIKeyJVPKREUKBWFBSO-UHFFFAOYSA-N
XLogP1.76
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.78
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride with MolForge

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Related Compounds

8-methyl-4-piperazin-1-yl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 25225472
4-(1,4-diazepan-1-yl)-8,8-difluoro-7,9-dihydro-6H-[1]benzothiolo[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 68922996
8-chloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;dihydrochloride
CID 24946753
4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 42603142
4-piperazin-1-ylspiro[6,8-dihydro-5H-quinazoline-7,1'-cyclohexane]-2-amine
CID 68561629
8,9-dichloro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 67429907
4-[(3S)-3-aminopyrrolidin-1-yl]-8,8-difluoro-7,9-dihydro-6H-[1]benzothiolo[3,2-d]pyrimidin-2-amine;hydrochloride
CID 68922871
9-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 44628804
acetic acid;8-methoxy-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 172762962
4-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-8,8-difluoro-7,9-dihydro-6H-[1]benzothiolo[3,2-d]pyrimidin-2-amine
CID 66562894
8-tert-butyl-4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 67950680
3-methyl-4-piperazin-1-yl-1,2,5-oxadiazole;hydrochloride
CID 75530610

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride?
The IUPAC name of 8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride (CID 68922662) is 8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride.
What is the SMILES notation for 8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride?
The canonical SMILES for 8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride is Cl.Nc1nc(N2CCNCC2)c2oc3c(c2n1)CC(F)(F)CC3.
What is the InChIKey of 8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride?
The InChIKey is JVPKREUKBWFBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5O.ClH/c15-14(16)2-1-9-8(7-14)10-11(22-9)12(20-13(17)19-10)21-5-3-18-4-6-21;/h18H,1-7H2,(H2,17,19,20);1H.
What are the key properties of 8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride?
8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride has a molecular weight of 345.78 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-4-piperazin-1-yl-7,9-dihydro-6H-[1]benzofuro[3,2-d]pyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 68922662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).