9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine

C14H14FN5O — CID 57391033

IUPAC9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CCNCC2)c2oc3cccc(F)c3c2n1
InChIInChI=1S/C14H14FN5O/c15-8-2-1-3-9-10(8)11-12(21-9)13(19-14(16)18-11)20-6-4-17-5-7-20/h1-3,17H,4-7H2,(H2,16,18,19)
InChIKeyPPHOEVXQSZXODE-UHFFFAOYSA-N
MW287.30 g/mol
LogP1.51
Rot. Bonds1

About 9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine

9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 57391033) has the molecular formula C14H14FN5O and a molecular weight of 287.30 g/mol. Its IUPAC name is 9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID57391033
Molecular FormulaC14H14FN5O
Molecular Weight287.30 g/mol
Exact Mass287.12
IUPAC Name9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1nc(N2CCNCC2)c2oc3cccc(F)c3c2n1
InChIInChI=1S/C14H14FN5O/c15-8-2-1-3-9-10(8)11-12(21-9)13(19-14(16)18-11)20-6-4-17-5-7-20/h1-3,17H,4-7H2,(H2,16,18,19)
InChIKeyPPHOEVXQSZXODE-UHFFFAOYSA-N
XLogP1.51
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzofurano[3,2-d]pyrimidine deriv. 77
CID 5328425
6-Benzofuran-2-yl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10471957
(R)-8-chloro-4-(3-(methylamino)pyrrolidin-1-yl)benzofuro[3,2-d]pyrimidin-2-amine
CID 16718567
8-Chloro-4-(4-methyl-piperazin-1-yl)-benzo[4,5]furo[3,2-d]pyrimidin-2-ylamine
CID 23653543
8-bromo-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24737950
8-Chloro-4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24826766
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 57396301
4-(4-Methylpiperazin-1-yl)-8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 57399746
2-methyl-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1414940
N-(sec-butyl)-2-methylbenzofuro[3,2-d]pyrimidin-4-amine hydrochloride
CID 16682334
N-(3-methoxyphenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1399676
N-Phenyl[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 621402

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 57391033) is 9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine is Nc1nc(N2CCNCC2)c2oc3cccc(F)c3c2n1.
What is the InChIKey of 9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is PPHOEVXQSZXODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O/c15-8-2-1-3-9-10(8)11-12(21-9)13(19-14(16)18-11)20-6-4-17-5-7-20/h1-3,17H,4-7H2,(H2,16,18,19).
What are the key properties of 9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine?
9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 287.30 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-piperazin-1-yl-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 57391033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).