9-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine

C15H16FN5O — CID 57396298

IUPAC9-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN1CCN(c2nc(N)nc3c2oc2cccc(F)c23)CC1
InChIInChI=1S/C15H16FN5O/c1-20-5-7-21(8-6-20)14-13-12(18-15(17)19-14)11-9(16)3-2-4-10(11)22-13/h2-4H,5-8H2,1H3,(H2,17,18,19)
InChIKeyPSGCWUIVQUUBAA-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.85
Rot. Bonds1

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

9-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 57396298) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is 9-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name9-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID57396298
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name9-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCN1CCN(c2nc(N)nc3c2oc2cccc(F)c23)CC1
InChIInChI=1S/C15H16FN5O/c1-20-5-7-21(8-6-20)14-13-12(18-15(17)19-14)11-9(16)3-2-4-10(11)22-13/h2-4H,5-8H2,1H3,(H2,17,18,19)
InChIKeyPSGCWUIVQUUBAA-UHFFFAOYSA-N
XLogP1.85
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Benzofurano[3,2-d]pyrimidine deriv. 77
CID 5328425
3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide
CID 135393470
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
4-[(4-Fluorophenyl)methylsulfanyl]-2-methyl-[1]benzofuro[3,2-d]pyrimidine
CID 3458131
4-[(3-Fluorobenzyl)sulfanyl]-2-methyl[1]benzofuro[3,2-d]pyrimidine
CID 3622707

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 9-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 57396298) is 9-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 9-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 9-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine is CN1CCN(c2nc(N)nc3c2oc2cccc(F)c23)CC1.
What is the InChIKey of 9-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is PSGCWUIVQUUBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O/c1-20-5-7-21(8-6-20)14-13-12(18-15(17)19-14)11-9(16)3-2-4-10(11)22-13/h2-4H,5-8H2,1H3,(H2,17,18,19).
What are the key properties of 9-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
9-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 301.32 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-(4-methylpiperazin-1-yl)-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 57396298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).